data_1liq_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 1liq _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 121.045 0.45 . . . . 1.0 111.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.5 -30.65 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -28.53 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.78 1.71 48.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.677 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.14 161.21 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -119.3 18.45 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.24 145.24 30.38 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.48 -11.25 14.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -78.32 -52.04 9.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.227 0.537 . . . . 0.01 110.655 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -65.55 -26.01 67.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.82 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 84.88 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -134.31 -81.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.409 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.5 mmt -114.11 6.0 16.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 80.44 22.24 0.44 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -65.19 76.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.727 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.18 -40.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.579 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.3 -35.2 75.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.049 0.452 . . . . 0.0 110.811 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -28.89 59.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.86 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.0 t60 -78.32 -57.0 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.01 110.983 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.9 mtt -56.92 -21.58 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.712 0.291 . . . . 0.0 111.426 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -27.03 68.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.5 p-80 -126.14 -21.2 4.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.01 112.085 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.783 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.055 0.455 . . . . 1.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.02 -30.69 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.287 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -60.15 -28.28 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.64 2.15 41.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.727 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.8 t -75.17 160.5 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -122.34 20.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.697 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.28 145.58 31.06 Favored Pre-proline 0 C--N 1.333 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.26 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.25 -11.96 14.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -77.76 -49.77 13.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.146 0.498 . . . . 0.01 110.624 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.87 -26.44 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -72.73 84.91 1.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -145.2 -94.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 5.3 mmm -101.56 21.08 14.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.82 0.343 . . . . 0.0 110.166 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.1 OUTLIER 53.08 35.26 19.14 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.253 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.7 76.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.391 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -44.85 -40.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.727 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.66 -35.5 79.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.453 . . . . 0.0 110.63 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -75.82 -32.52 59.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 13.6 t60 -75.19 -56.65 4.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.842 -0.617 . . . . 0.01 110.985 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -20.89 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.533 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -26.97 68.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p-80 -126.11 -25.61 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.01 111.908 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.827 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.083 0.468 . . . . 1.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.35 -30.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -27.06 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.68 -0.64 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.702 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 11.8 t -75.18 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -120.89 21.15 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.36 127.85 27.77 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.13 -16.42 50.4 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.496 2.131 . . . . 0.0 112.31 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.19 -56.83 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.159 0.504 . . . . 0.01 110.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -60.94 -25.92 67.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.773 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.0 84.85 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.9 m -133.3 -81.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 5.1 mmt -114.62 6.13 15.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 80.33 21.66 0.48 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.175 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -66.04 76.1 0.09 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.673 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -48.47 -39.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.741 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.69 -35.23 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.994 0.426 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -75.67 -29.27 59.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.952 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 11.1 t60 -78.07 -57.03 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.01 111.077 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 ttp -56.78 -21.63 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -26.63 68.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.179 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.61 -19.11 4.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.01 112.152 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 120.837 0.351 . . . . 0.0 111.273 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.067 0.461 . . . . 1.0 111.269 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -56.37 -31.89 34.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -27.46 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.18 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.735 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 11.1 t -75.21 160.7 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -118.79 19.7 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.655 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -105.26 126.62 30.5 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.234 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.03 -15.91 46.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.469 2.112 . . . . 0.0 112.385 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.99 -55.95 5.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.208 0.528 . . . . 0.01 110.585 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.14 -26.7 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.658 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.11 84.88 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -133.6 -80.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 9.6 mmm -116.03 5.85 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.214 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 80.13 22.37 0.47 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.837 0.351 . . . . 0.0 111.226 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.45 76.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -48.66 -37.04 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.732 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.47 -35.43 75.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.851 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.8 t60 -77.73 -59.81 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.01 111.11 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.99 -22.52 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.466 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.31 -19.62 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.275 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.456 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.2 p-80 -133.15 -9.96 2.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.01 112.398 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 120.827 0.346 . . . . 0.0 111.275 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.015 0.436 . . . . 1.0 111.261 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.96 -31.07 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.269 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.62 -28.87 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.09 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.67 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 t -75.09 161.04 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -116.01 16.99 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mt -105.19 143.55 26.98 Favored Pre-proline 0 CA--C 1.528 0.116 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.07 -5.79 13.81 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.664 2.243 . . . . 0.0 112.506 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.99 -50.84 7.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.128 0.49 . . . . 0.01 110.75 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 m -63.88 -27.81 69.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.883 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 84.93 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.637 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -133.47 -81.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.942 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.4 mtt -114.25 8.1 16.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER 76.98 23.3 0.97 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.255 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -67.16 75.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.664 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -47.78 -39.67 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.624 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.1 -35.18 72.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.099 0.475 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -30.92 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.846 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.0 t60 -78.7 -59.51 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.01 110.969 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.5 mtt -54.88 -22.63 15.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -19.67 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.268 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.81 -8.87 3.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.268 0.47 . . . . 0.01 112.268 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 120.853 0.359 . . . . 0.0 111.256 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.989 0.423 . . . . 1.0 111.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.08 -30.34 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.03 -28.64 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.75 0.59 55.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.714 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.2 t -75.14 160.95 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -118.97 18.14 13.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.18 143.64 27.17 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-O 120.71 0.291 . . . . 0.0 111.178 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.25 -9.2 15.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 112.376 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.59 -50.87 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.107 0.479 . . . . 0.01 110.699 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.07 -25.51 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -73.9 84.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -142.22 -94.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.466 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 16.9 mmm -100.72 21.14 13.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.826 0.346 . . . . 0.0 110.139 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 13' ' ' MET . 13.9 ptmt 53.33 31.79 12.5 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.17 75.45 0.23 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -45.33 -39.96 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.758 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.1 -35.58 75.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.068 0.461 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -34.76 59.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.649 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.12 -59.97 2.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.816 -0.629 . . . . 0.01 110.926 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -22.84 15.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.382 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -20.11 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.191 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.55 -8.71 3.24 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.253 0.464 . . . . 0.01 112.253 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 120.862 0.363 . . . . 0.0 111.254 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.021 0.438 . . . . 1.0 111.24 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.05 -31.53 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.284 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -67.04 -27.82 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.9 -1.29 46.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.716 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.1 t -75.18 161.11 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -119.84 19.74 12.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.686 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.27 126.59 30.57 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.197 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.96 -16.29 48.82 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.442 2.095 . . . . 0.0 112.405 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -73.45 -56.3 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.01 110.555 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 m -60.45 -25.12 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -75.87 84.9 2.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.1 m -126.38 -81.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.404 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 7.8 mtt -126.82 15.74 7.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 81.73 22.39 0.29 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.96 75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 t -51.64 -38.69 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.61 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.52 -35.32 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.63 -31.26 59.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.829 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.7 t60 -79.03 -59.1 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.01 111.074 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -21.95 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -20.65 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.275 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.455 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.4 p-80 -132.2 -13.1 3.14 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.307 0.484 . . . . 0.01 112.307 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.809 0 CA-C-O 120.837 0.351 . . . . 0.0 111.256 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.125 0.488 . . . . 1.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.64 -33.33 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.398 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.55 2.57 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.692 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.4 t -75.12 160.19 30.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -117.72 17.78 14.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.36 144.21 28.35 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.57 -6.2 14.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.608 2.205 . . . . 0.0 112.489 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -83.38 -48.58 10.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.093 0.473 . . . . 0.01 110.773 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -71.08 -30.1 66.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 84.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.5 m -131.98 -80.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.0 mtt -114.9 6.13 15.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 81.13 20.33 0.41 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.19 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -66.84 75.45 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.687 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.6 t -50.37 -33.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.604 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.99 -35.38 71.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.161 0.505 . . . . 0.0 110.651 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -75.86 -37.31 59.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 34.2 t60 -76.99 -21.98 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 0.01 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.1 ttt -88.45 17.19 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.685 0.278 . . . . 0.0 111.448 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.49 -5.49 10.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.023 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.3 p-80 -142.91 -19.46 0.66 Allowed 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.475 0.546 . . . . 0.01 112.475 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.802 0 CA-C-O 120.795 0.331 . . . . 0.0 111.31 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.037 0.446 . . . . 1.0 111.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.51 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -27.55 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.7 2.64 49.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.12 160.94 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -113.59 15.89 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mt -105.26 143.6 27.09 Favored Pre-proline 0 C--N 1.334 -0.094 0 CA-C-O 120.737 0.303 . . . . 0.0 111.098 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.9 2.11 8.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.635 2.224 . . . . 0.0 112.553 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.54 -46.04 7.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.052 0.453 . . . . 0.01 110.826 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -69.35 -34.73 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.913 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.8 84.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.2 m -131.83 -81.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.032 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 mmm -111.98 6.15 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 81.2 21.25 0.38 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.234 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -66.63 75.63 0.11 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -50.03 -39.26 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.55 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.89 -35.24 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.78 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -30.7 59.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.8 t60 -79.02 -59.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.01 110.995 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 mtt -54.91 -22.62 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -19.5 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.308 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -132.91 -8.61 3.09 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.3 0.481 . . . . 0.01 112.3 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.58 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.441 -0.877 0 CA-C-O 120.795 0.331 . . . . 0.0 111.27 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.066 0.46 . . . . 1.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.03 -30.34 50.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.279 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -65.62 -27.59 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.38 1.86 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.734 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 t -75.11 160.65 30.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -119.12 18.55 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.729 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.22 143.77 27.42 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 111.167 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 -8.4 14.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.678 2.252 . . . . 0.0 112.423 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.37 -50.48 9.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.116 0.484 . . . . 0.01 110.712 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.69 -26.25 67.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.933 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -72.51 84.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -142.76 -94.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.662 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.4 mtt -101.09 20.98 14.59 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.183 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 13' ' ' MET . 14.8 pttt 53.26 32.06 12.8 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.257 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.21 75.5 0.24 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -45.17 -40.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.85 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.96 -35.47 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.455 . . . . 0.0 110.69 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -34.65 59.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.695 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.3 -59.83 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 0.01 110.931 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 mtt -54.95 -22.63 15.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.436 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -20.27 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.272 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.13 -10.85 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.274 0.472 . . . . 0.01 112.274 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.78 0 CA-C-O 120.76 0.314 . . . . 0.0 111.375 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.025 0.441 . . . . 1.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.07 -31.45 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.258 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -27.96 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.67 4.04 52.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.637 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 t -75.1 161.03 29.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -119.55 19.31 12.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.1 143.91 27.68 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-O 120.71 0.29 . . . . 0.0 111.251 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.78 44.91 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.852 2.368 . . . . 0.0 112.313 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.56 -46.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 0.01 110.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -67.64 -35.95 79.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.927 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -68.15 84.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.637 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -131.94 -83.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 13.0 mtt -109.71 7.54 24.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER 78.82 22.81 0.63 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.199 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.41 74.99 0.16 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.951 0.405 . . . . 0.0 110.646 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.33 -30.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.03 -35.37 79.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.793 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.8 -31.19 59.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -74.99 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.01 111.1 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 mtt -55.41 -22.6 20.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.518 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.83 -25.07 67.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.38 -11.33 5.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.01 112.263 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.81 0 CA-C-O 120.856 0.36 . . . . 0.0 111.234 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.022 0.439 . . . . 1.0 111.313 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.63 -44.1 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.265 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.44 2.89 54.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 t -75.03 161.15 29.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -119.38 19.3 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.09 144.07 28.01 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.83 44.92 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.876 2.384 . . . . 0.0 112.306 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.72 -46.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.01 110.739 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -67.17 -30.63 70.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.023 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.51 84.89 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.9 m -131.22 -81.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtt -112.37 5.99 18.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 81.35 21.33 0.36 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -66.21 75.42 0.09 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.671 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.24 -32.16 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.529 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.75 -35.28 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -31.01 59.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.871 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -75.17 -58.86 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.01 111.045 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 mmm -55.55 -22.58 22.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.688 0.28 . . . . 0.0 111.493 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.67 -25.17 67.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.374 . . . . 0.0 111.205 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.26 -11.58 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.01 112.25 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.831 0 CA-C-O 120.863 0.363 . . . . 0.0 111.239 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 1.0 111.235 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 10' ' ' CYS . 8.9 p -58.8 -38.0 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -57.11 -22.23 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.83 -2.24 23.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.872 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.2 t -75.28 160.9 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -121.78 19.76 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.576 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mt -105.31 125.96 32.16 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.97 -17.54 52.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -72.38 -53.51 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.199 0.523 . . . . 0.01 110.608 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 4.4 m -65.24 -16.31 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 25.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.508 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -65.24 -76.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.748 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.403 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.0 mmm -120.65 4.79 10.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 81.3 21.76 0.35 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -65.42 77.26 0.06 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.01 -43.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.874 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.77 -35.44 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.78 -29.2 58.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.9 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 12.2 t60 -76.24 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.01 111.089 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 ttp -55.81 -22.45 24.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -127.34 -15.33 5.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.01 112.22 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 120.834 0.35 . . . . 0.0 111.242 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.034 0.445 . . . . 1.0 111.233 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.86 -32.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -61.04 -28.82 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.22 2.35 48.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.633 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.12 160.65 30.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -118.01 19.04 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.24 144.88 29.67 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-O 120.704 0.288 . . . . 0.0 111.179 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.86 -11.32 15.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -78.92 -55.54 5.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.01 110.657 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -60.31 -26.69 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -71.13 84.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.625 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.8 m -124.2 -80.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.0 mtt -132.22 17.79 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.5 pttt 81.12 19.17 0.45 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.255 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -67.16 75.25 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.691 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.89 -32.29 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.512 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.32 -35.39 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.145 0.498 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.81 -37.72 58.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 40.8 t60 -77.33 -20.91 54.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.759 -0.655 . . . . 0.01 110.854 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.5 mtt -90.01 17.92 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.645 0.259 . . . . 0.0 111.364 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.01 -6.0 10.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.023 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.465 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.06 -22.43 0.63 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.324 0.49 . . . . 0.01 112.324 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.56 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.763 0 CA-C-O 120.827 0.346 . . . . 0.0 111.27 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.062 0.458 . . . . 1.0 111.225 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 10' ' ' CYS . 9.4 p -65.03 -39.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.371 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -56.23 -22.84 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.01 36.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.8 t -75.31 161.36 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -119.73 17.25 12.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.764 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -105.29 145.71 31.32 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 111.223 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.95 -13.91 13.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -75.59 -52.12 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.01 110.651 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 4.2 m -65.96 -15.83 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.15 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -85.98 25.17 1.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.589 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -65.71 -75.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.767 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 3.5 mtp -122.39 4.62 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 81.38 21.56 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -65.27 77.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 110.671 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -44.48 -44.07 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.928 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.04 -35.41 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.999 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -75.82 -28.99 58.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.879 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.8 t60 -76.45 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.01 111.018 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.14 -22.09 26.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.723 0.296 . . . . 0.0 111.381 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.15 -26.14 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.95 -17.87 4.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.01 112.131 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.068 0.461 . . . . 1.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.63 -32.61 52.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.256 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.33 -29.24 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.81 1.54 53.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.622 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.0 t -75.18 160.79 30.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -117.55 18.45 14.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.25 145.02 29.96 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.729 0.3 . . . . 0.0 111.191 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.46 -9.35 14.91 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.77 -53.5 6.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.194 0.521 . . . . 0.01 110.73 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.9 -28.46 70.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.796 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -71.28 84.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -124.27 -80.18 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.8 mtt -130.45 16.67 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 81.86 18.92 0.37 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -67.28 75.13 0.14 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -51.58 -31.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.556 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.2 -35.44 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -75.77 -39.11 57.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.56 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.5 t60 -75.7 -20.8 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.788 -0.642 . . . . 0.01 110.832 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.0 mmm -90.32 18.58 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 0.0 111.292 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 -5.68 10.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.462 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.45 -22.52 0.6 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.373 0.509 . . . . 0.01 112.373 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.775 0 CA-C-O 120.814 0.34 . . . . 0.0 111.246 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.06 0.457 . . . . 1.0 111.246 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.98 -31.14 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.293 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -67.25 -27.57 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 3.97 52.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.716 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -75.09 161.14 29.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -119.09 19.23 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.1 143.23 26.31 Favored Pre-proline 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.3 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.7 44.89 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.887 2.391 . . . . 0.0 112.298 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -139.29 -47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.167 0.508 . . . . 0.01 110.781 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -65.86 -29.2 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.024 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -70.03 84.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.632 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.2 m -125.54 -81.46 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.3 mmt -121.96 13.1 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.0 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.5 pttt 81.15 20.08 0.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -66.83 75.35 0.11 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.749 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.74 -35.64 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.531 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.26 -35.25 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.054 0.454 . . . . 0.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.81 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 19.3 t60 -78.36 -58.91 3.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.01 111.009 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttt -55.19 -22.38 17.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.438 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.19 -19.15 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.1 -8.61 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.272 0.471 . . . . 0.01 112.272 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 120.814 0.34 . . . . 0.0 111.235 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.024 0.44 . . . . 1.0 111.271 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.33 -34.62 54.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.239 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.6 -29.06 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 2.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.646 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.9 t -75.14 160.64 30.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -117.03 18.73 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.27 144.74 29.4 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.231 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.1 -9.58 15.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.685 2.257 . . . . 0.0 112.378 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.93 -54.61 5.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.192 0.52 . . . . 0.01 110.713 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.25 -28.36 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 84.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -122.45 -80.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 3.8 mmt -134.26 19.89 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 13' ' ' MET . 0.9 OUTLIER 82.32 18.52 0.33 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -66.73 75.14 0.11 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 t -52.67 -32.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.529 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -35.42 71.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.125 0.488 . . . . 0.0 110.656 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.91 -37.58 58.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.522 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.9 t60 -77.69 -20.59 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.01 110.859 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.3 mtt -90.46 18.04 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.705 0.288 . . . . 0.0 111.308 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.34 -5.77 10.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.078 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.25 -22.5 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.379 0.511 . . . . 0.01 112.379 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.762 0 CA-C-O 120.849 0.357 . . . . 0.0 111.249 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.056 0.455 . . . . 1.0 111.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.2 -30.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -63.84 -27.45 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.47 41.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.76 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.7 t -75.14 160.61 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.989 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -120.54 20.92 11.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -105.21 126.13 31.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.189 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.14 -17.07 50.16 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.91 -56.6 4.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.166 0.508 . . . . 0.01 110.581 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.4 m -60.45 -24.39 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.672 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -77.48 84.88 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.596 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -136.1 -82.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.1 mmm -114.15 8.38 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER 75.93 25.3 1.12 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -66.04 75.89 0.08 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.711 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -49.04 -41.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.574 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.12 -35.25 73.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -30.68 59.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.768 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.578 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 15.6 t60 -78.76 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.01 110.964 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.2 mtt -54.75 -22.77 15.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.402 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -19.41 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.326 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -7.64 3.05 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.312 0.486 . . . . 0.01 112.312 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.578 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 120.795 0.331 . . . . 0.0 111.296 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.07 0.462 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.9 -30.51 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -65.16 -27.51 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.75 -1.17 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.723 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.9 t -75.21 160.92 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.35 20.46 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.612 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -105.26 125.84 32.5 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.232 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.9 -17.35 50.48 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -72.63 -56.54 5.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.494 . . . . 0.01 110.593 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.02 -22.8 63.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.747 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -78.98 84.87 4.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -134.39 -82.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 1.6 mtt -114.93 8.74 15.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.069 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER 75.46 24.3 1.38 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.22 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -66.87 75.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.657 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -47.44 -39.48 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.667 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.66 -35.26 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 110.782 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -31.09 59.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.76 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.2 t60 -78.44 -59.26 2.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.01 111.023 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -22.68 15.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.383 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -19.3 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.298 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -8.06 3.05 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.292 0.478 . . . . 0.01 112.292 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 120.847 0.356 . . . . 0.0 111.278 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 121.045 0.45 . . . . 1.0 111.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.5 -30.65 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -28.53 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.78 1.71 48.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.677 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.14 161.21 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -119.3 18.45 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.24 145.24 30.38 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.48 -11.25 14.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -78.32 -52.04 9.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.227 0.537 . . . . 0.01 110.655 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -65.55 -26.01 67.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.82 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 84.88 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.3 m -134.31 -81.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.409 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.5 mmt -114.11 6.0 16.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 80.44 22.24 0.44 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -65.19 76.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.727 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.18 -40.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.579 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.3 -35.2 75.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.049 0.452 . . . . 0.0 110.811 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -28.89 59.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.86 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.0 t60 -78.32 -57.0 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.01 110.983 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.9 mtt -56.92 -21.58 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.712 0.291 . . . . 0.0 111.426 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -27.03 68.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.5 p-80 -126.14 -21.2 4.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.01 112.085 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -101.92 163.92 11.99 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.49 126.53 51.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.81 36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.83 -125.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.055 0.455 . . . . 1.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.02 -30.69 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.287 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -60.15 -28.28 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.64 2.15 41.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.727 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.8 t -75.17 160.5 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -122.34 20.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.697 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.28 145.58 31.06 Favored Pre-proline 0 C--N 1.333 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.26 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.25 -11.96 14.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -77.76 -49.77 13.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.146 0.498 . . . . 0.01 110.624 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.87 -26.44 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -72.73 84.91 1.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -145.2 -94.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 5.3 mmm -101.56 21.08 14.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.82 0.343 . . . . 0.0 110.166 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.1 OUTLIER 53.08 35.26 19.14 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.253 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.7 76.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.391 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -44.85 -40.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.727 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.66 -35.5 79.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.453 . . . . 0.0 110.63 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -75.82 -32.52 59.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 13.6 t60 -75.19 -56.65 4.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.842 -0.617 . . . . 0.01 110.985 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -20.89 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.533 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -26.97 68.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p-80 -126.11 -25.61 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.01 111.908 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -96.81 177.34 5.67 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 5.9 pt20 -135.02 -175.64 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.32 76.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.08 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.912 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.083 0.468 . . . . 1.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.35 -30.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -27.06 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.68 -0.64 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.702 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 11.8 t -75.18 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -120.89 21.15 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.36 127.85 27.77 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.13 -16.42 50.4 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.496 2.131 . . . . 0.0 112.31 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.19 -56.83 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.159 0.504 . . . . 0.01 110.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -60.94 -25.92 67.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.773 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.0 84.85 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.9 m -133.3 -81.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 5.1 mmt -114.62 6.13 15.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 80.33 21.66 0.48 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.175 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -66.04 76.1 0.09 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.673 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -48.47 -39.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.741 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.69 -35.23 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.994 0.426 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -75.67 -29.27 59.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.952 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 11.1 t60 -78.07 -57.03 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.01 111.077 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 ttp -56.78 -21.63 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -26.63 68.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.179 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.61 -19.11 4.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.01 112.152 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -104.64 -172.79 2.16 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.837 0.351 . . . . 0.0 111.273 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -171.75 134.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.32 37.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.22 122.93 1.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 1.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.067 0.461 . . . . 1.0 111.269 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -56.37 -31.89 34.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -27.46 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.18 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.735 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 11.1 t -75.21 160.7 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -118.79 19.7 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.655 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -105.26 126.62 30.5 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.234 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.03 -15.91 46.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.469 2.112 . . . . 0.0 112.385 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.99 -55.95 5.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.208 0.528 . . . . 0.01 110.585 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.14 -26.7 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.658 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.11 84.88 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -133.6 -80.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 9.6 mmm -116.03 5.85 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.214 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 80.13 22.37 0.47 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.837 0.351 . . . . 0.0 111.226 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.45 76.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -48.66 -37.04 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.732 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.47 -35.43 75.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.851 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.8 t60 -77.73 -59.81 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.01 111.11 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.99 -22.52 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.466 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.31 -19.62 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.275 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.2 p-80 -133.15 -9.96 2.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.01 112.398 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -114.73 67.76 0.69 Allowed 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.827 0.346 . . . . 0.0 111.275 -178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.25 128.33 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.09 144.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.88 125.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.015 0.436 . . . . 1.0 111.261 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.96 -31.07 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.269 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.62 -28.87 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.09 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.67 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.2 t -75.09 161.04 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -116.01 16.99 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mt -105.19 143.55 26.98 Favored Pre-proline 0 CA--C 1.528 0.116 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.07 -5.79 13.81 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.664 2.243 . . . . 0.0 112.506 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.99 -50.84 7.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.128 0.49 . . . . 0.01 110.75 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 m -63.88 -27.81 69.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.883 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 84.93 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.637 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -133.47 -81.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.942 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.4 mtt -114.25 8.1 16.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER 76.98 23.3 0.97 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.255 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -67.16 75.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.664 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -47.78 -39.67 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.624 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.1 -35.18 72.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.099 0.475 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -30.92 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.846 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.0 t60 -78.7 -59.51 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.01 110.969 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.5 mtt -54.88 -22.63 15.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -19.67 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.268 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.81 -8.87 3.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.268 0.47 . . . . 0.01 112.268 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -115.78 150.79 36.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 120.853 0.359 . . . . 0.0 111.256 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 5.6 pt20 -106.69 171.21 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 134.31 0.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.73 3.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 mttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.199 -0.905 . . . . 1.0 110.896 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.989 0.423 . . . . 1.0 111.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.08 -30.34 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.03 -28.64 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.75 0.59 55.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.714 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.2 t -75.14 160.95 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -118.97 18.14 13.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.18 143.64 27.17 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-O 120.71 0.291 . . . . 0.0 111.178 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.25 -9.2 15.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 112.376 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.59 -50.87 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.107 0.479 . . . . 0.01 110.699 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.07 -25.51 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -73.9 84.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -142.22 -94.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.466 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 16.9 mmm -100.72 21.14 13.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.826 0.346 . . . . 0.0 110.139 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 13' ' ' MET . 13.9 ptmt 53.33 31.79 12.5 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.17 75.45 0.23 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -45.33 -39.96 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.758 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.1 -35.58 75.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.068 0.461 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -34.76 59.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.649 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.12 -59.97 2.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.816 -0.629 . . . . 0.01 110.926 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -22.84 15.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.382 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -20.11 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.191 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.55 -8.71 3.24 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.253 0.464 . . . . 0.01 112.253 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -115.91 176.68 4.98 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.862 0.363 . . . . 0.0 111.254 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 12.9 pt20 -133.9 176.55 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.27 98.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.13 46.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.021 0.438 . . . . 1.0 111.24 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.05 -31.53 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.284 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -67.04 -27.82 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.9 -1.29 46.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.716 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.1 t -75.18 161.11 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -119.84 19.74 12.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.686 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.27 126.59 30.57 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.197 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.96 -16.29 48.82 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.442 2.095 . . . . 0.0 112.405 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -73.45 -56.3 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.01 110.555 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.4 m -60.45 -25.12 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -75.87 84.9 2.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.1 m -126.38 -81.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.404 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 7.8 mtt -126.82 15.74 7.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 81.73 22.39 0.29 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.96 75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 t -51.64 -38.69 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.61 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.52 -35.32 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.63 -31.26 59.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.829 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.7 t60 -79.03 -59.1 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.01 111.074 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -21.95 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -20.65 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.275 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.455 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.4 p-80 -132.2 -13.1 3.14 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.307 0.484 . . . . 0.01 112.307 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -111.4 -177.64 3.25 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.837 0.351 . . . . 0.0 111.256 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -152.4 124.86 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.63 77.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.93 -124.94 0.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.563 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.125 0.488 . . . . 1.0 111.247 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.64 -33.33 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.398 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.55 2.57 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.692 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.4 t -75.12 160.19 30.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -117.72 17.78 14.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.36 144.21 28.35 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.57 -6.2 14.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.608 2.205 . . . . 0.0 112.489 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -83.38 -48.58 10.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.093 0.473 . . . . 0.01 110.773 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -71.08 -30.1 66.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 84.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.5 m -131.98 -80.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.0 mtt -114.9 6.13 15.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 81.13 20.33 0.41 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.19 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -66.84 75.45 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.687 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.6 t -50.37 -33.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.604 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.99 -35.38 71.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.161 0.505 . . . . 0.0 110.651 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -75.86 -37.31 59.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 34.2 t60 -76.99 -21.98 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 0.01 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.1 ttt -88.45 17.19 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.685 0.278 . . . . 0.0 111.448 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.49 -5.49 10.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.023 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.3 p-80 -142.91 -19.46 0.66 Allowed 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.475 0.546 . . . . 0.01 112.475 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -107.35 164.39 12.23 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.795 0.331 . . . . 0.0 111.31 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -81.11 139.87 35.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.98 119.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.09 29.4 12.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 mttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.291 -0.861 . . . . 1.0 110.927 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.037 0.446 . . . . 1.0 111.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.51 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -27.55 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.7 2.64 49.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.12 160.94 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -113.59 15.89 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mt -105.26 143.6 27.09 Favored Pre-proline 0 C--N 1.334 -0.094 0 CA-C-O 120.737 0.303 . . . . 0.0 111.098 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.9 2.11 8.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.635 2.224 . . . . 0.0 112.553 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.54 -46.04 7.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.052 0.453 . . . . 0.01 110.826 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -69.35 -34.73 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.913 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.8 84.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.2 m -131.83 -81.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.032 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 mmm -111.98 6.15 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 81.2 21.25 0.38 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.234 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -66.63 75.63 0.11 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -50.03 -39.26 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.55 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.89 -35.24 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.78 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -30.7 59.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.8 t60 -79.02 -59.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.01 110.995 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 mtt -54.91 -22.62 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -19.5 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.308 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -132.91 -8.61 3.09 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.3 0.481 . . . . 0.01 112.3 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.58 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.28 142.41 46.87 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-O 120.795 0.331 . . . . 0.0 111.27 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 15.0 pt20 -100.4 176.83 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.34 35.72 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.059 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.53 -99.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 tttt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.22 -0.895 . . . . 1.0 110.851 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.066 0.46 . . . . 1.0 111.234 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.03 -30.34 50.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.279 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -65.62 -27.59 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.38 1.86 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.734 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.8 t -75.11 160.65 30.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -119.12 18.55 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.729 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.22 143.77 27.42 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 111.167 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 -8.4 14.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.678 2.252 . . . . 0.0 112.423 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.37 -50.48 9.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.116 0.484 . . . . 0.01 110.712 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.69 -26.25 67.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.933 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -72.51 84.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -142.76 -94.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.662 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.4 mtt -101.09 20.98 14.59 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.183 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 13' ' ' MET . 14.8 pttt 53.26 32.06 12.8 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.257 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.21 75.5 0.24 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.7 t -45.17 -40.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.85 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.96 -35.47 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.455 . . . . 0.0 110.69 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -34.65 59.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.695 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.3 -59.83 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 0.01 110.931 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 mtt -54.95 -22.63 15.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.436 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -20.27 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.272 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.13 -10.85 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.274 0.472 . . . . 0.01 112.274 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.28 -30.55 6.88 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.76 0.314 . . . . 0.0 111.375 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 11.0 pt20 46.25 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.33 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.29 76.75 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.43 -71.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttm . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.287 -0.863 . . . . 1.0 110.914 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.025 0.441 . . . . 1.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.07 -31.45 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.258 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -27.96 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.67 4.04 52.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.637 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 t -75.1 161.03 29.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -119.55 19.31 12.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.1 143.91 27.68 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-O 120.71 0.29 . . . . 0.0 111.251 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.78 44.91 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.852 2.368 . . . . 0.0 112.313 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.56 -46.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 0.01 110.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -67.64 -35.95 79.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.927 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -68.15 84.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.637 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -131.94 -83.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 13.0 mtt -109.71 7.54 24.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER 78.82 22.81 0.63 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.199 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.41 74.99 0.16 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.951 0.405 . . . . 0.0 110.646 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.33 -30.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.03 -35.37 79.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.793 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.8 -31.19 59.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -74.99 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.01 111.1 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 mtt -55.41 -22.6 20.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.518 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.83 -25.07 67.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.38 -11.33 5.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.01 112.263 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.32 146.15 39.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.856 0.36 . . . . 0.0 111.234 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -117.35 179.55 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 85.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.33 -80.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.022 0.439 . . . . 1.0 111.313 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.63 -44.1 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.265 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.44 2.89 54.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.9 t -75.03 161.15 29.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -119.38 19.3 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.09 144.07 28.01 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.83 44.92 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.876 2.384 . . . . 0.0 112.306 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.72 -46.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.01 110.739 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -67.17 -30.63 70.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.023 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.51 84.89 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.9 m -131.22 -81.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtt -112.37 5.99 18.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 81.35 21.33 0.36 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -66.21 75.42 0.09 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.671 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.24 -32.16 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.529 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.75 -35.28 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -31.01 59.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.871 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -75.17 -58.86 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.01 111.045 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 mmm -55.55 -22.58 22.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.688 0.28 . . . . 0.0 111.493 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.67 -25.17 67.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.374 . . . . 0.0 111.205 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.26 -11.58 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.01 112.25 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.09 143.37 44.46 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.863 0.363 . . . . 0.0 111.239 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 17.4 pt20 -97.79 175.1 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.24 116.91 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.13 -105.62 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 1.0 111.235 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 10' ' ' CYS . 8.9 p -58.8 -38.0 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -57.11 -22.23 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.83 -2.24 23.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.872 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.2 t -75.28 160.9 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -121.78 19.76 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.576 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mt -105.31 125.96 32.16 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.97 -17.54 52.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -72.38 -53.51 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.199 0.523 . . . . 0.01 110.608 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 4.4 m -65.24 -16.31 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 25.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.508 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -65.24 -76.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.748 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.403 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.0 mmm -120.65 4.79 10.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 81.3 21.76 0.35 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -65.42 77.26 0.06 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -45.01 -43.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.874 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.77 -35.44 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.78 -29.2 58.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.9 179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 12.2 t60 -76.24 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.01 111.089 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 ttp -55.81 -22.45 24.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -127.34 -15.33 5.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.01 112.22 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -108.95 -173.0 2.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 120.834 0.35 . . . . 0.0 111.242 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -172.29 127.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.67 132.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.58 -72.19 0.79 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.266 -0.874 . . . . 1.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.034 0.445 . . . . 1.0 111.233 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.86 -32.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -61.04 -28.82 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.22 2.35 48.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.633 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.12 160.65 30.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -118.01 19.04 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.24 144.88 29.67 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-O 120.704 0.288 . . . . 0.0 111.179 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.86 -11.32 15.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -78.92 -55.54 5.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.01 110.657 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -60.31 -26.69 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -71.13 84.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.625 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.8 m -124.2 -80.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.0 mtt -132.22 17.79 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.5 pttt 81.12 19.17 0.45 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.255 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -67.16 75.25 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.691 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.89 -32.29 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.512 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.32 -35.39 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.145 0.498 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.81 -37.72 58.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 40.8 t60 -77.33 -20.91 54.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.759 -0.655 . . . . 0.01 110.854 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.5 mtt -90.01 17.92 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.645 0.259 . . . . 0.0 111.364 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.01 -6.0 10.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.023 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.465 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.06 -22.43 0.63 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.324 0.49 . . . . 0.01 112.324 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.56 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -103.97 142.57 34.21 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 120.827 0.346 . . . . 0.0 111.27 -178.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 15.8 pt20 -96.21 175.13 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.28 142.76 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.85 54.73 1.48 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.199 -0.905 . . . . 1.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.062 0.458 . . . . 1.0 111.225 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 10' ' ' CYS . 9.4 p -65.03 -39.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.371 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -56.23 -22.84 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.01 36.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.8 t -75.31 161.36 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -119.73 17.25 12.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.764 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -105.29 145.71 31.32 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 111.223 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.95 -13.91 13.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -75.59 -52.12 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.01 110.651 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 4.2 m -65.96 -15.83 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.15 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -85.98 25.17 1.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.589 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.9 m -65.71 -75.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.767 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 3.5 mtp -122.39 4.62 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 81.38 21.56 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -65.27 77.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 110.671 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -44.48 -44.07 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.928 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.04 -35.41 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.999 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -75.82 -28.99 58.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.879 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.8 t60 -76.45 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.01 111.018 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.14 -22.09 26.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.723 0.296 . . . . 0.0 111.381 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.15 -26.14 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.95 -17.87 4.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.01 112.131 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -105.66 117.05 33.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -72.8 -174.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 35.65 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.065 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.14 -43.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tptm . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.247 -0.882 . . . . 1.0 110.894 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.068 0.461 . . . . 1.0 111.199 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.63 -32.61 52.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.256 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.33 -29.24 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.81 1.54 53.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.622 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.0 t -75.18 160.79 30.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -117.55 18.45 14.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.25 145.02 29.96 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.729 0.3 . . . . 0.0 111.191 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.46 -9.35 14.91 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.77 -53.5 6.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.194 0.521 . . . . 0.01 110.73 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.9 -28.46 70.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.796 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -71.28 84.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -124.27 -80.18 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.8 mtt -130.45 16.67 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 81.86 18.92 0.37 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -67.28 75.13 0.14 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 t -51.58 -31.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.556 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.2 -35.44 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -75.77 -39.11 57.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.56 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.5 t60 -75.7 -20.8 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.788 -0.642 . . . . 0.01 110.832 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.0 mmm -90.32 18.58 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 0.0 111.292 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 -5.68 10.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.462 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.45 -22.52 0.6 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.373 0.509 . . . . 0.01 112.373 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -103.85 -177.12 3.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 120.814 0.34 . . . . 0.0 111.246 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 9.9 pt20 -153.78 -177.3 6.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 78.55 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.063 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.27 45.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.06 0.457 . . . . 1.0 111.246 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.98 -31.14 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.293 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -67.25 -27.57 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 3.97 52.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.716 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -75.09 161.14 29.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -119.09 19.23 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.1 143.23 26.31 Favored Pre-proline 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.3 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.7 44.89 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.887 2.391 . . . . 0.0 112.298 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -139.29 -47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.167 0.508 . . . . 0.01 110.781 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -65.86 -29.2 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.024 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -70.03 84.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.632 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.2 m -125.54 -81.46 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.3 mmt -121.96 13.1 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.0 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.5 pttt 81.15 20.08 0.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -66.83 75.35 0.11 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.749 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.74 -35.64 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.531 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.26 -35.25 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.054 0.454 . . . . 0.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.81 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 19.3 t60 -78.36 -58.91 3.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.01 111.009 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttt -55.19 -22.38 17.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.438 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.19 -19.15 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.1 -8.61 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.272 0.471 . . . . 0.01 112.272 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.56 -172.71 2.24 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 120.814 0.34 . . . . 0.0 111.235 -178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 32.8 mt-30 -132.8 179.85 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.33 145.45 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.15 38.37 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.92 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.024 0.44 . . . . 1.0 111.271 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.33 -34.62 54.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.239 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.6 -29.06 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 2.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.646 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 12.9 t -75.14 160.64 30.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -117.03 18.73 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -105.27 144.74 29.4 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.231 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.1 -9.58 15.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.685 2.257 . . . . 0.0 112.378 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.93 -54.61 5.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.192 0.52 . . . . 0.01 110.713 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.25 -28.36 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 84.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -122.45 -80.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 3.8 mmt -134.26 19.89 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 13' ' ' MET . 0.9 OUTLIER 82.32 18.52 0.33 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -66.73 75.14 0.11 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 t -52.67 -32.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.529 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -35.42 71.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.125 0.488 . . . . 0.0 110.656 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.91 -37.58 58.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.522 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.9 t60 -77.69 -20.59 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.01 110.859 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.3 mtt -90.46 18.04 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.705 0.288 . . . . 0.0 111.308 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.34 -5.77 10.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.078 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.25 -22.5 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.379 0.511 . . . . 0.01 112.379 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -104.05 164.56 11.62 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.849 0.357 . . . . 0.0 111.249 -178.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 26.3 mt-30 -108.73 178.04 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 160.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.39 -80.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.056 0.455 . . . . 1.0 111.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.2 -30.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -63.84 -27.45 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.47 41.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.76 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 10.7 t -75.14 160.61 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.989 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -120.54 20.92 11.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -105.21 126.13 31.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.189 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.14 -17.07 50.16 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.91 -56.6 4.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.166 0.508 . . . . 0.01 110.581 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.4 m -60.45 -24.39 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.672 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -77.48 84.88 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.596 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -136.1 -82.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.1 mmm -114.15 8.38 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER 75.93 25.3 1.12 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -66.04 75.89 0.08 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.711 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.2 t -49.04 -41.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.574 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.12 -35.25 73.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -30.68 59.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.768 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.578 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 15.6 t60 -78.76 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.01 110.964 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.2 mtt -54.75 -22.77 15.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.402 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -19.41 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.326 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -7.64 3.05 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.312 0.486 . . . . 0.01 112.312 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.578 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -117.17 154.3 31.34 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 120.795 0.331 . . . . 0.0 111.296 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 86.1 mt-30 -96.21 174.19 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.27 152.77 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.88 33.47 3.77 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.274 -0.869 . . . . 1.0 110.919 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.07 0.462 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.9 -30.51 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -65.16 -27.51 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.75 -1.17 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.723 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 19' ' ' HIS . 9.9 t -75.21 160.92 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.35 20.46 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.612 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -105.26 125.84 32.5 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.232 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.9 -17.35 50.48 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -72.63 -56.54 5.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.494 . . . . 0.01 110.593 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 m -60.02 -22.8 63.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.747 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -78.98 84.87 4.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -134.39 -82.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 1.6 mtt -114.93 8.74 15.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.069 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 13' ' ' MET . 0.0 OUTLIER 75.46 24.3 1.38 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.22 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -66.87 75.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.657 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -47.44 -39.48 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.667 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.66 -35.26 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 110.782 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -31.09 59.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.76 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.2 t60 -78.44 -59.26 2.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.01 111.023 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -22.68 15.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.383 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -19.3 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.298 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -8.06 3.05 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.292 0.478 . . . . 0.01 112.292 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.84 164.48 14.61 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 120.847 0.356 . . . . 0.0 111.278 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 11.5 mt-30 -121.2 177.63 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 24' ' ' GLN . . . 84.33 113.28 0.05 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.38 -71.96 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tptm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.873 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.692 ' HA ' HG13 ' A' ' 16' ' ' VAL . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 121.045 0.45 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.553 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.0 p -58.5 -30.65 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -28.53 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.78 1.71 48.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.677 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.858 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.0 t -75.14 161.21 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -119.3 18.45 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.858 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.24 145.24 30.38 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.48 -11.25 14.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -78.32 -52.04 9.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.227 0.537 . . . . 0.0 110.655 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -65.55 -26.01 67.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.82 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 84.88 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 13' ' ' MET . 97.3 m -134.31 -81.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.495 ' HG2' HG22 ' A' ' 12' ' ' THR . 18.5 mmt -114.11 6.0 16.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER 80.44 22.24 0.44 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -65.19 76.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.727 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.5 t -49.18 -40.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.579 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.3 -35.2 75.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.049 0.452 . . . . 0.0 110.811 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.763 ' O ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -75.46 -28.89 59.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.86 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.0 t-80 -78.32 -57.0 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.9 mtt -56.92 -21.58 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.712 0.291 . . . . 0.0 111.426 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -62.17 -27.03 68.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.5 p-80 -126.14 -21.2 4.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.085 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.783 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.634 ' HA ' HG13 ' A' ' 16' ' ' VAL . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.055 0.455 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.846 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.1 p -65.02 -30.69 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.287 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -60.15 -28.28 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.64 2.15 41.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.727 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.859 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.8 t -75.17 160.5 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -122.34 20.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.697 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.28 145.58 31.06 Favored Pre-proline 0 C--N 1.333 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.26 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.25 -11.96 14.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -77.76 -49.77 13.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.146 0.498 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -69.87 -26.44 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -72.73 84.91 1.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -145.2 -94.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 5.3 mmm -101.56 21.08 14.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.82 0.343 . . . . 0.0 110.166 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.846 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 53.08 35.26 19.14 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.253 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.7 76.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.391 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.634 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -44.85 -40.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.727 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.66 -35.5 79.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.453 . . . . 0.0 110.63 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.768 ' O ' HG22 ' A' ' 21' ' ' THR . 8.5 t-20 -75.82 -32.52 59.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.9 t-80 -75.19 -56.65 4.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.448 ' HA ' ' HE3' ' A' ' 20' ' ' MET . 0.2 OUTLIER -57.95 -20.89 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.533 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -62.06 -26.97 68.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 111.162 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p-80 -126.11 -25.61 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.908 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.425 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.827 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 16' ' ' VAL . 27.1 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.083 0.468 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.585 HG12 HG22 ' A' ' 16' ' ' VAL . 7.8 p -58.35 -30.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -27.06 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.68 -0.64 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.702 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.834 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.8 t -75.18 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -120.89 21.15 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.834 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.9 mt -105.36 127.85 27.77 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.3 Cg_exo -62.13 -16.42 50.4 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.496 2.131 . . . . 0.0 112.31 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.19 -56.83 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.159 0.504 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.1 m -60.94 -25.92 67.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.773 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.0 84.85 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.9 m -133.3 -81.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.1 mmt -114.62 6.13 15.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.7 OUTLIER 80.33 21.66 0.48 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.175 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -66.04 76.1 0.09 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.673 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.7 t -48.47 -39.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.741 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.69 -35.23 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.994 0.426 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.761 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 t-20 -75.67 -29.27 59.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.952 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.495 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t-80 -78.07 -57.03 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 ttp -56.78 -21.63 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -62.96 -26.63 68.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.179 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.61 -19.11 4.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.152 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 120.837 0.351 . . . . 0.0 111.273 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.493 ' HA ' HG13 ' A' ' 16' ' ' VAL . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.067 0.461 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.1 p -56.37 -31.89 34.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -27.46 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.18 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.735 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.826 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.1 t -75.21 160.7 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -118.79 19.7 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.655 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.826 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.1 mt -105.26 126.62 30.5 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.234 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.7 Cg_exo -62.03 -15.91 46.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.469 2.112 . . . . 0.0 112.385 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.99 -55.95 5.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.585 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.6 m -61.14 -26.7 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.658 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.11 84.88 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -133.6 -80.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.6 mmm -116.03 5.85 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.214 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER 80.13 22.37 0.47 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.837 0.351 . . . . 0.0 111.226 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.45 76.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.536 HG22 HG12 ' A' ' 2' ' ' VAL . 21.0 t -48.66 -37.04 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.732 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.47 -35.43 75.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.851 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' HA ' ' NE2' ' A' ' 22' ' ' HIS . 4.5 t-80 -77.73 -59.81 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.11 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.99 -22.52 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.466 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.31 -19.62 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.275 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.2 p-80 -133.15 -9.96 2.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 120.827 0.346 . . . . 0.0 111.275 -178.461 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.765 ' HA ' HG13 ' A' ' 16' ' ' VAL . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.015 0.436 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.776 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.2 p -64.96 -31.07 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.62 -28.87 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.09 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.67 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.2 t -75.09 161.04 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -116.01 16.99 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.9 mt -105.19 143.55 26.98 Favored Pre-proline 0 CA--C 1.528 0.116 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.07 -5.79 13.81 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.664 2.243 . . . . 0.0 112.506 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.99 -50.84 7.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.128 0.49 . . . . 0.0 110.75 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.776 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.8 m -63.88 -27.81 69.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.883 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 84.93 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.637 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.427 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.6 m -133.47 -81.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.942 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.4 mtt -114.25 8.1 16.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.683 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 76.98 23.3 0.97 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.255 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -67.16 75.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.664 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.765 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.8 t -47.78 -39.67 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.624 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.1 -35.18 72.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.099 0.475 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -30.92 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.846 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t-80 -78.7 -59.51 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.5 mtt -54.88 -22.63 15.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -19.67 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.268 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.81 -8.87 3.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 120.853 0.359 . . . . 0.0 111.256 -178.381 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.533 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.989 0.423 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.796 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.4 p -65.08 -30.34 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.03 -28.64 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.75 0.59 55.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.714 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.838 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.2 t -75.14 160.95 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -118.97 18.14 13.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.838 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.2 mt -105.18 143.64 27.17 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-O 120.71 0.291 . . . . 0.0 111.178 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.25 -9.2 15.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 112.376 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.59 -50.87 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.107 0.479 . . . . 0.0 110.699 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -65.07 -25.51 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -73.9 84.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.776 HG22 ' HG2' ' A' ' 13' ' ' MET . 98.7 m -142.22 -94.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.776 ' HG2' HG22 ' A' ' 12' ' ' THR . 16.9 mmm -100.72 21.14 13.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.826 0.346 . . . . 0.0 110.139 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.796 ' HA ' HG11 ' A' ' 2' ' ' VAL . 13.9 ptmt 53.33 31.79 12.5 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.17 75.45 0.23 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.533 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -45.33 -39.96 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.758 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.1 -35.58 75.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.068 0.461 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -34.76 59.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.649 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t-80 -75.12 -59.97 2.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -22.84 15.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.382 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -20.11 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.191 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.55 -8.71 3.24 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 120.862 0.363 . . . . 0.0 111.254 -178.392 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.484 ' HA ' HG13 ' A' ' 16' ' ' VAL . 38.3 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.021 0.438 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' ' 14' ' ' LYS . 8.5 p -57.05 -31.53 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.284 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -67.04 -27.82 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.9 -1.29 46.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.716 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.846 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.1 t -75.18 161.11 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -119.84 19.74 12.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.686 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.8 mt -105.27 126.59 30.57 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.197 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.7 Cg_exo -61.96 -16.29 48.82 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.442 2.095 . . . . 0.0 112.405 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -73.45 -56.3 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.4 m -60.45 -25.12 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.657 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -75.87 84.9 2.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.435 HG22 ' HG3' ' A' ' 13' ' ' MET . 96.1 m -126.38 -81.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.435 ' HG3' HG22 ' A' ' 12' ' ' THR . 7.8 mtt -126.82 15.74 7.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 81.73 22.39 0.29 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.96 75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 1' ' ' GLU . 19.5 t -51.64 -38.69 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.61 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.52 -35.32 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.63 -31.26 59.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.829 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.475 ' HA ' ' NE2' ' A' ' 22' ' ' HIS . 4.7 t-80 -79.03 -59.1 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.074 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -21.95 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -20.65 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.275 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.475 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.4 p-80 -132.2 -13.1 3.14 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.809 0 CA-C-O 120.837 0.351 . . . . 0.0 111.256 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.587 ' HA ' HG13 ' A' ' 16' ' ' VAL . 9.1 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.125 0.488 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.733 HG12 HG22 ' A' ' 16' ' ' VAL . 9.4 p -56.64 -33.33 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.398 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.55 2.57 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.692 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.844 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.4 t -75.12 160.19 30.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -117.72 17.78 14.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.844 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.36 144.21 28.35 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.57 -6.2 14.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.608 2.205 . . . . 0.0 112.489 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -83.38 -48.58 10.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.773 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -71.08 -30.1 66.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 84.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.404 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.5 m -131.98 -80.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.404 ' HG3' HG22 ' A' ' 12' ' ' THR . 12.0 mtt -114.9 6.13 15.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.3 OUTLIER 81.13 20.33 0.41 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.19 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -66.84 75.45 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.687 179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.733 HG22 HG12 ' A' ' 2' ' ' VAL . 20.6 t -50.37 -33.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.604 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.99 -35.38 71.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.161 0.505 . . . . 0.0 110.651 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -75.86 -37.31 59.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 7.7 t-80 -76.99 -21.98 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.1 ttt -88.45 17.19 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.685 0.278 . . . . 0.0 111.448 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.49 -5.49 10.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.023 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.3 p-80 -142.91 -19.46 0.66 Allowed 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.802 0 CA-C-O 120.795 0.331 . . . . 0.0 111.31 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.77 ' HA ' HG13 ' A' ' 16' ' ' VAL . 48.4 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.799 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.5 p -62.51 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -27.55 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.7 2.64 49.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.838 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.0 t -75.12 160.94 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -113.59 15.89 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.838 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.0 mt -105.26 143.6 27.09 Favored Pre-proline 0 C--N 1.334 -0.094 0 CA-C-O 120.737 0.303 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.9 2.11 8.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.635 2.224 . . . . 0.0 112.553 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.54 -46.04 7.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.052 0.453 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.799 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -69.35 -34.73 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.913 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.8 84.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.2 m -131.83 -81.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.032 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 mmm -111.98 6.15 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 81.2 21.25 0.38 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.234 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -66.63 75.63 0.11 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.77 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -50.03 -39.26 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.55 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 17' ' ' LEU . 6.1 mp -58.89 -35.24 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.78 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -30.7 59.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.466 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.6 t-80 -79.02 -59.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.995 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 mtt -54.91 -22.62 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -19.5 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.308 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -132.91 -8.61 3.09 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.441 -0.877 0 CA-C-O 120.795 0.331 . . . . 0.0 111.27 -178.399 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.581 ' HA ' HG13 ' A' ' 16' ' ' VAL . 26.4 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.817 HG11 ' HA ' ' A' ' 14' ' ' LYS . 8.1 p -65.03 -30.34 50.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.279 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -65.62 -27.59 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.38 1.86 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.734 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.836 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.8 t -75.11 160.65 30.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -119.12 18.55 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.729 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.836 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.2 mt -105.22 143.77 27.42 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 -8.4 14.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.678 2.252 . . . . 0.0 112.423 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.37 -50.48 9.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.116 0.484 . . . . 0.0 110.712 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.527 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -65.69 -26.25 67.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.933 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -72.51 84.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -142.76 -94.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.662 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.4 mtt -101.09 20.98 14.59 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.183 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.817 ' HA ' HG11 ' A' ' 2' ' ' VAL . 14.8 pttt 53.26 32.06 12.8 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.257 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.21 75.5 0.24 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.581 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.7 t -45.17 -40.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.85 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.96 -35.47 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.455 . . . . 0.0 110.69 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -34.65 59.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.695 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t-80 -75.3 -59.83 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.931 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 mtt -54.95 -22.63 15.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.436 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -20.27 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.272 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.13 -10.85 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.443 -0.78 0 CA-C-O 120.76 0.314 . . . . 0.0 111.375 -178.381 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.762 ' HA ' HG13 ' A' ' 16' ' ' VAL . 3.5 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.025 0.441 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.2 p -65.07 -31.45 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.258 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -27.96 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.67 4.04 52.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.637 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.867 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.9 t -75.1 161.03 29.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -119.55 19.31 12.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.867 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.5 mt -105.1 143.91 27.68 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-O 120.71 0.29 . . . . 0.0 111.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.78 44.91 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.852 2.368 . . . . 0.0 112.313 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.56 -46.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 0.0 110.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.722 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -67.64 -35.95 79.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.927 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -68.15 84.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.637 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 13' ' ' MET . 98.0 m -131.94 -83.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 13.0 mtt -109.71 7.54 24.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 78.82 22.81 0.63 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.199 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.41 74.99 0.16 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.951 0.405 . . . . 0.0 110.646 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -51.33 -30.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.03 -35.37 79.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.793 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.794 ' O ' HG22 ' A' ' 21' ' ' THR . 0.7 OUTLIER -75.8 -31.19 59.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.494 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.0 t-80 -74.99 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 mtt -55.41 -22.6 20.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.518 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -64.83 -25.07 67.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.38 -11.33 5.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.263 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.81 0 CA-C-O 120.856 0.36 . . . . 0.0 111.234 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.475 ' HA ' HG13 ' A' ' 16' ' ' VAL . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.022 0.439 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.1 p -58.63 -44.1 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.265 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -61.0 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.44 2.89 54.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.863 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.9 t -75.03 161.15 29.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -119.38 19.3 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.863 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.5 mt -105.09 144.07 28.01 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.83 44.92 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.876 2.384 . . . . 0.0 112.306 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.72 -46.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.608 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -67.17 -30.63 70.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.51 84.89 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.9 m -131.22 -81.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtt -112.37 5.99 18.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HA ' HG11 ' A' ' 2' ' ' VAL . 1.0 OUTLIER 81.35 21.33 0.36 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -66.21 75.42 0.09 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.671 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 2' ' ' VAL . 21.3 t -51.24 -32.16 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.529 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.75 -35.28 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.793 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER -75.73 -31.01 59.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.871 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -75.17 -58.86 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.045 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 mmm -55.55 -22.58 22.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.688 0.28 . . . . 0.0 111.493 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -64.67 -25.17 67.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.374 . . . . 0.0 111.205 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.26 -11.58 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.25 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.831 0 CA-C-O 120.863 0.363 . . . . 0.0 111.239 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.562 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.0 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.769 HG12 HG22 ' A' ' 16' ' ' VAL . 8.9 p -58.8 -38.0 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -57.11 -22.23 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.83 -2.24 23.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.872 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.837 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.2 t -75.28 160.9 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -121.78 19.76 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.576 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.6 mt -105.31 125.96 32.16 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 33.5 Cg_exo -60.97 -17.54 52.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -72.38 -53.51 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.199 0.523 . . . . 0.0 110.608 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' O ' HG21 ' A' ' 2' ' ' VAL . 4.4 m -65.24 -16.31 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 25.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.508 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -65.24 -76.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.748 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 mmm -120.65 4.79 10.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 81.3 21.76 0.35 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -65.42 77.26 0.06 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.769 HG22 HG12 ' A' ' 2' ' ' VAL . 21.0 t -45.01 -43.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.874 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.77 -35.44 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.782 ' O ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -75.78 -29.2 58.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.9 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.49 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.4 t-80 -76.24 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.089 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 ttp -55.81 -22.45 24.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 111.156 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -127.34 -15.33 5.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.22 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 120.834 0.35 . . . . 0.0 111.242 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.724 ' HA ' HG13 ' A' ' 16' ' ' VAL . 37.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.034 0.445 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.744 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.7 p -58.86 -32.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.251 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -61.04 -28.82 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.22 2.35 48.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.633 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.86 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.6 t -75.12 160.65 30.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -118.01 19.04 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.86 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.8 mt -105.24 144.88 29.67 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-O 120.704 0.288 . . . . 0.0 111.179 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.86 -11.32 15.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -78.92 -55.54 5.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.657 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.744 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.0 m -60.31 -26.69 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -71.13 84.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.625 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.826 HG22 ' HG3' ' A' ' 13' ' ' MET . 95.8 m -124.2 -80.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.826 ' HG3' HG22 ' A' ' 12' ' ' THR . 37.0 mtt -132.22 17.79 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HA ' HG11 ' A' ' 2' ' ' VAL . 2.5 pttt 81.12 19.17 0.45 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.255 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.16 75.25 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.691 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.724 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -50.89 -32.29 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.512 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.32 -35.39 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.145 0.498 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.81 -37.72 58.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 9.7 t-80 -77.33 -20.91 54.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.633 ' HG3' HG12 ' A' ' 16' ' ' VAL . 25.5 mtt -90.01 17.92 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.645 0.259 . . . . 0.0 111.364 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.01 -6.0 10.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.023 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.06 -22.43 0.63 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.763 0 CA-C-O 120.827 0.346 . . . . 0.0 111.27 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.687 ' HA ' HG13 ' A' ' 16' ' ' VAL . 23.9 mt-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.748 HG12 HG22 ' A' ' 16' ' ' VAL . 9.4 p -65.03 -39.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.371 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 2' ' ' VAL . 2.1 tpt180 -56.23 -22.84 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.01 36.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.862 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 t -75.31 161.36 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -119.73 17.25 12.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.764 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.862 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.0 mt -105.29 145.71 31.32 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 111.223 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.95 -13.91 13.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -75.59 -52.12 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' O ' HG21 ' A' ' 2' ' ' VAL . 4.2 m -65.96 -15.83 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.15 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -85.98 25.17 1.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.589 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.414 HG22 ' HG3' ' A' ' 13' ' ' MET . 89.9 m -65.71 -75.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.767 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.414 ' HG3' HG22 ' A' ' 12' ' ' THR . 3.5 mtp -122.39 4.62 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 81.38 21.56 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -65.27 77.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 110.671 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.748 HG22 HG12 ' A' ' 2' ' ' VAL . 21.6 t -44.48 -44.07 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.928 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.04 -35.41 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.999 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.78 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 t-20 -75.82 -28.99 58.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.879 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.495 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.1 t-80 -76.45 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.14 -22.09 26.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.723 0.296 . . . . 0.0 111.381 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -63.15 -26.14 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.95 -17.87 4.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.131 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.687 ' HA ' HG13 ' A' ' 16' ' ' VAL . 7.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.068 0.461 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.761 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.6 p -60.63 -32.61 52.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.256 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.33 -29.24 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.81 1.54 53.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.622 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.857 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.0 t -75.18 160.79 30.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -117.55 18.45 14.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.6 mt -105.25 145.02 29.96 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.729 0.3 . . . . 0.0 111.191 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.46 -9.35 14.91 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.77 -53.5 6.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.194 0.521 . . . . 0.0 110.73 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.761 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -62.9 -28.46 70.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.796 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -71.28 84.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.886 HG22 ' HG3' ' A' ' 13' ' ' MET . 94.2 m -124.27 -80.18 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.886 ' HG3' HG22 ' A' ' 12' ' ' THR . 20.8 mtt -130.45 16.67 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 81.86 18.92 0.37 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.28 75.13 0.14 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.687 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.0 t -51.58 -31.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.2 -35.44 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -75.77 -39.11 57.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.56 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 10.2 t-80 -75.7 -20.8 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.0 mmm -90.32 18.58 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 0.0 111.292 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 -5.68 10.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.45 -22.52 0.6 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.775 0 CA-C-O 120.814 0.34 . . . . 0.0 111.246 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 16' ' ' VAL . 17.4 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.06 0.457 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.737 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.3 p -64.98 -31.14 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.293 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -67.25 -27.57 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 3.97 52.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.716 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.864 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.5 t -75.09 161.14 29.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -119.09 19.23 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.864 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.6 mt -105.1 143.23 26.31 Favored Pre-proline 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.3 . . . . 0.0 111.215 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.7 44.89 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.887 2.391 . . . . 0.0 112.298 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -139.29 -47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.167 0.508 . . . . 0.0 110.781 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.737 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -65.86 -29.2 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.024 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -70.03 84.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.632 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.717 HG22 ' HG2' ' A' ' 13' ' ' MET . 97.2 m -125.54 -81.46 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.717 ' HG2' HG22 ' A' ' 12' ' ' THR . 14.3 mmt -121.96 13.1 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.0 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HA ' HG11 ' A' ' 2' ' ' VAL . 2.5 pttt 81.15 20.08 0.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -66.83 75.35 0.11 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.749 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.4 t -50.74 -35.64 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.531 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.26 -35.25 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.054 0.454 . . . . 0.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.81 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.466 ' HA ' ' NE2' ' A' ' 22' ' ' HIS . 3.9 t-80 -78.36 -58.91 3.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.009 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttt -55.19 -22.38 17.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.438 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.19 -19.15 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.1 -8.61 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 120.814 0.34 . . . . 0.0 111.235 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.725 ' HA ' HG13 ' A' ' 16' ' ' VAL . 37.6 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.024 0.44 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.785 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.0 p -59.33 -34.62 54.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.239 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.6 -29.06 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 2.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.646 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.861 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.9 t -75.14 160.64 30.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -117.03 18.73 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.861 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.8 mt -105.27 144.74 29.4 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.1 -9.58 15.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.685 2.257 . . . . 0.0 112.378 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.93 -54.61 5.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.192 0.52 . . . . 0.0 110.713 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.785 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.6 m -61.25 -28.36 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 84.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -122.45 -80.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 3.8 mmt -134.26 19.89 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 82.32 18.52 0.33 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -66.73 75.14 0.11 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.725 HG13 ' HA ' ' A' ' 1' ' ' GLU . 20.4 t -52.67 -32.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.529 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -35.42 71.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.125 0.488 . . . . 0.0 110.656 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.91 -37.58 58.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.522 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 23' ' ' CYS . 10.3 t-80 -77.69 -20.59 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.471 ' HG3' HG12 ' A' ' 16' ' ' VAL . 16.3 mtt -90.46 18.04 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.705 0.288 . . . . 0.0 111.308 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.34 -5.77 10.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.078 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.25 -22.5 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.762 0 CA-C-O 120.849 0.357 . . . . 0.0 111.249 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.737 ' HA ' HG13 ' A' ' 16' ' ' VAL . 48.8 mt-10 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.056 0.455 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.8 p -59.2 -30.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -63.84 -27.45 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.47 41.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.76 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.824 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.7 t -75.14 160.61 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.989 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -120.54 20.92 11.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.824 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.6 mt -105.21 126.13 31.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.189 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 31.7 Cg_exo -61.14 -17.07 50.16 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.91 -56.6 4.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.166 0.508 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.627 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.4 m -60.45 -24.39 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.672 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -77.48 84.88 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.596 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -136.1 -82.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.1 mmm -114.15 8.38 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.644 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 75.93 25.3 1.12 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -66.04 75.89 0.08 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.711 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.737 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.2 t -49.04 -41.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.574 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.12 -35.25 73.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -30.68 59.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.768 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.1 t-80 -78.76 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.2 mtt -54.75 -22.77 15.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.402 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -19.41 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.326 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -7.64 3.05 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 120.795 0.331 . . . . 0.0 111.296 -178.443 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.771 ' HA ' HG13 ' A' ' 16' ' ' VAL . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.635 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.3 p -58.9 -30.51 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -65.16 -27.51 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.75 -1.17 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.723 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.825 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.9 t -75.21 160.92 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.35 20.46 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.612 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.3 mt -105.26 125.84 32.5 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.232 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 33.6 Cg_exo -60.9 -17.35 50.48 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -72.63 -56.54 5.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.494 . . . . 0.0 110.593 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.621 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.5 m -60.02 -22.8 63.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -78.98 84.87 4.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.8 m -134.39 -82.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 1.6 mtt -114.93 8.74 15.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.069 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.635 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 75.46 24.3 1.38 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.22 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -66.87 75.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.657 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.771 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -47.44 -39.48 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.667 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.66 -35.26 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 110.782 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -31.09 59.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.76 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.5 t-80 -78.44 -59.26 2.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.023 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -22.68 15.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.383 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -19.3 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.298 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -8.06 3.05 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 120.847 0.356 . . . . 0.0 111.278 -178.407 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.692 ' HA ' HG13 ' A' ' 16' ' ' VAL . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 121.045 0.45 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.553 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.0 p -58.5 -30.65 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -28.53 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.78 1.71 48.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.677 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.858 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.0 t -75.14 161.21 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -119.3 18.45 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.858 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.24 145.24 30.38 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.48 -11.25 14.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -78.32 -52.04 9.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.227 0.537 . . . . 0.0 110.655 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -65.55 -26.01 67.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.82 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 84.88 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 13' ' ' MET . 97.3 m -134.31 -81.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.495 ' HG2' HG22 ' A' ' 12' ' ' THR . 18.5 mmt -114.11 6.0 16.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER 80.44 22.24 0.44 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -65.19 76.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.727 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.5 t -49.18 -40.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.579 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.3 -35.2 75.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.049 0.452 . . . . 0.0 110.811 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.763 ' O ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -75.46 -28.89 59.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.86 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.0 t60 -78.32 -57.0 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.9 mtt -56.92 -21.58 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.712 0.291 . . . . 0.0 111.426 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -62.17 -27.03 68.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.5 p-80 -126.14 -21.2 4.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.085 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -101.92 163.92 11.99 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.49 126.53 51.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.81 36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.83 -125.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.634 ' HA ' HG13 ' A' ' 16' ' ' VAL . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.055 0.455 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.846 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.1 p -65.02 -30.69 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.287 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -60.15 -28.28 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.64 2.15 41.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.727 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.859 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.8 t -75.17 160.5 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -122.34 20.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.697 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.28 145.58 31.06 Favored Pre-proline 0 C--N 1.333 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.26 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.25 -11.96 14.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -77.76 -49.77 13.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.146 0.498 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -69.87 -26.44 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -72.73 84.91 1.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -145.2 -94.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 5.3 mmm -101.56 21.08 14.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.82 0.343 . . . . 0.0 110.166 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.846 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 53.08 35.26 19.14 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.253 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.7 76.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.391 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.634 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -44.85 -40.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.727 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.66 -35.5 79.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.453 . . . . 0.0 110.63 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.768 ' O ' HG22 ' A' ' 21' ' ' THR . 8.5 t-20 -75.82 -32.52 59.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 13.6 t60 -75.19 -56.65 4.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -20.89 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.533 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -62.06 -26.97 68.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 111.162 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p-80 -126.11 -25.61 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.908 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -96.81 177.34 5.67 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.612 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 5.9 pt20 -135.02 -175.64 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.32 76.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.08 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.912 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 16' ' ' VAL . 27.1 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.083 0.468 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.585 HG12 HG22 ' A' ' 16' ' ' VAL . 7.8 p -58.35 -30.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -27.06 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.68 -0.64 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.702 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.834 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.8 t -75.18 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -120.89 21.15 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.9 mt -105.36 127.85 27.77 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.3 Cg_exo -62.13 -16.42 50.4 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.496 2.131 . . . . 0.0 112.31 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.19 -56.83 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.159 0.504 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.1 m -60.94 -25.92 67.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.773 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.0 84.85 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.9 m -133.3 -81.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.1 mmt -114.62 6.13 15.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.7 OUTLIER 80.33 21.66 0.48 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.175 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -66.04 76.1 0.09 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.673 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.7 t -48.47 -39.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.741 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.69 -35.23 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.994 0.426 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.761 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 t-20 -75.67 -29.27 59.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.952 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 11.1 t60 -78.07 -57.03 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 ttp -56.78 -21.63 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -62.96 -26.63 68.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.179 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.61 -19.11 4.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.152 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -104.64 -172.79 2.16 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.837 0.351 . . . . 0.0 111.273 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -171.75 134.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.32 37.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.22 122.93 1.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 1.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.493 ' HA ' HG13 ' A' ' 16' ' ' VAL . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.067 0.461 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.1 p -56.37 -31.89 34.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -27.46 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.18 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.735 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.826 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.1 t -75.21 160.7 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -118.79 19.7 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.655 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.826 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.1 mt -105.26 126.62 30.5 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.234 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.7 Cg_exo -62.03 -15.91 46.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.469 2.112 . . . . 0.0 112.385 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.99 -55.95 5.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.585 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.6 m -61.14 -26.7 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.658 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.11 84.88 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -133.6 -80.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.6 mmm -116.03 5.85 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.214 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER 80.13 22.37 0.47 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.837 0.351 . . . . 0.0 111.226 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.45 76.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.536 HG22 HG12 ' A' ' 2' ' ' VAL . 21.0 t -48.66 -37.04 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.732 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.47 -35.43 75.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.851 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.8 t60 -77.73 -59.81 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.11 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.99 -22.52 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.466 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.31 -19.62 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.275 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.2 p-80 -133.15 -9.96 2.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -114.73 67.76 0.69 Allowed 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.827 0.346 . . . . 0.0 111.275 -178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.25 128.33 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.09 144.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.88 125.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.765 ' HA ' HG13 ' A' ' 16' ' ' VAL . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.015 0.436 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.776 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.2 p -64.96 -31.07 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.62 -28.87 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.09 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.67 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.2 t -75.09 161.04 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -116.01 16.99 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.9 mt -105.19 143.55 26.98 Favored Pre-proline 0 CA--C 1.528 0.116 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.07 -5.79 13.81 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.664 2.243 . . . . 0.0 112.506 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.99 -50.84 7.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.128 0.49 . . . . 0.0 110.75 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.776 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.8 m -63.88 -27.81 69.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.883 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 84.93 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.637 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.427 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.6 m -133.47 -81.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.942 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.4 mtt -114.25 8.1 16.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.683 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 76.98 23.3 0.97 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.255 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -67.16 75.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.664 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.765 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.8 t -47.78 -39.67 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.624 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.1 -35.18 72.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.099 0.475 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -30.92 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.846 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.0 t60 -78.7 -59.51 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.5 mtt -54.88 -22.63 15.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -19.67 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.268 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.81 -8.87 3.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -115.78 150.79 36.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 120.853 0.359 . . . . 0.0 111.256 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.617 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 5.6 pt20 -106.69 171.21 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 134.31 0.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.73 3.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 mttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.199 -0.905 . . . . 1.0 110.896 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.533 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.989 0.423 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.796 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.4 p -65.08 -30.34 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.03 -28.64 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.75 0.59 55.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.714 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.838 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.2 t -75.14 160.95 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -118.97 18.14 13.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.838 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.2 mt -105.18 143.64 27.17 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-O 120.71 0.291 . . . . 0.0 111.178 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.25 -9.2 15.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 112.376 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.59 -50.87 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.107 0.479 . . . . 0.0 110.699 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -65.07 -25.51 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -73.9 84.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.776 HG22 ' HG2' ' A' ' 13' ' ' MET . 98.7 m -142.22 -94.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.776 ' HG2' HG22 ' A' ' 12' ' ' THR . 16.9 mmm -100.72 21.14 13.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.826 0.346 . . . . 0.0 110.139 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.796 ' HA ' HG11 ' A' ' 2' ' ' VAL . 13.9 ptmt 53.33 31.79 12.5 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.17 75.45 0.23 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -45.33 -39.96 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.758 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.1 -35.58 75.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.068 0.461 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -34.76 59.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.649 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.12 -59.97 2.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -22.84 15.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.382 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -20.11 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.191 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.55 -8.71 3.24 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -115.91 176.68 4.98 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.862 0.363 . . . . 0.0 111.254 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.61 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 12.9 pt20 -133.9 176.55 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.27 98.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.13 46.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.484 ' HA ' HG13 ' A' ' 16' ' ' VAL . 38.3 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.021 0.438 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' ' 14' ' ' LYS . 8.5 p -57.05 -31.53 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.284 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -67.04 -27.82 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.9 -1.29 46.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.716 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.846 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.1 t -75.18 161.11 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -119.84 19.74 12.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.686 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.8 mt -105.27 126.59 30.57 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.197 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.7 Cg_exo -61.96 -16.29 48.82 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.442 2.095 . . . . 0.0 112.405 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -73.45 -56.3 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.4 m -60.45 -25.12 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.657 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -75.87 84.9 2.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.435 HG22 ' HG3' ' A' ' 13' ' ' MET . 96.1 m -126.38 -81.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.435 ' HG3' HG22 ' A' ' 12' ' ' THR . 7.8 mtt -126.82 15.74 7.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 81.73 22.39 0.29 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.96 75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 1' ' ' GLU . 19.5 t -51.64 -38.69 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.61 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.52 -35.32 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.63 -31.26 59.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.829 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.7 t60 -79.03 -59.1 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.074 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -21.95 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -20.65 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.275 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.475 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.4 p-80 -132.2 -13.1 3.14 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -111.4 -177.64 3.25 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.837 0.351 . . . . 0.0 111.256 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -152.4 124.86 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.63 77.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.93 -124.94 0.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.563 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.587 ' HA ' HG13 ' A' ' 16' ' ' VAL . 9.1 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.125 0.488 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.733 HG12 HG22 ' A' ' 16' ' ' VAL . 9.4 p -56.64 -33.33 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.398 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.55 2.57 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.692 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.844 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.4 t -75.12 160.19 30.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -117.72 17.78 14.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.844 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.36 144.21 28.35 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.57 -6.2 14.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.608 2.205 . . . . 0.0 112.489 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -83.38 -48.58 10.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.773 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -71.08 -30.1 66.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 84.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.404 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.5 m -131.98 -80.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.404 ' HG3' HG22 ' A' ' 12' ' ' THR . 12.0 mtt -114.9 6.13 15.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.3 OUTLIER 81.13 20.33 0.41 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.19 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -66.84 75.45 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.687 179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.733 HG22 HG12 ' A' ' 2' ' ' VAL . 20.6 t -50.37 -33.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.604 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.99 -35.38 71.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.161 0.505 . . . . 0.0 110.651 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -75.86 -37.31 59.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 34.2 t60 -76.99 -21.98 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.1 ttt -88.45 17.19 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.685 0.278 . . . . 0.0 111.448 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.49 -5.49 10.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.023 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.3 p-80 -142.91 -19.46 0.66 Allowed 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -107.35 164.39 12.23 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.795 0.331 . . . . 0.0 111.31 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -81.11 139.87 35.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.98 119.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.09 29.4 12.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 mttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.291 -0.861 . . . . 1.0 110.927 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.77 ' HA ' HG13 ' A' ' 16' ' ' VAL . 48.4 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.799 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.5 p -62.51 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -27.55 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.7 2.64 49.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.838 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.0 t -75.12 160.94 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -113.59 15.89 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.838 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.0 mt -105.26 143.6 27.09 Favored Pre-proline 0 C--N 1.334 -0.094 0 CA-C-O 120.737 0.303 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.9 2.11 8.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.635 2.224 . . . . 0.0 112.553 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.54 -46.04 7.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.052 0.453 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.799 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -69.35 -34.73 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.913 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.8 84.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.2 m -131.83 -81.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.032 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 mmm -111.98 6.15 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 81.2 21.25 0.38 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.234 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -66.63 75.63 0.11 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.77 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -50.03 -39.26 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.55 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 17' ' ' LEU . 6.1 mp -58.89 -35.24 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.78 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -30.7 59.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.8 t60 -79.02 -59.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.995 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 mtt -54.91 -22.62 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -19.5 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.308 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -132.91 -8.61 3.09 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.58 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.28 142.41 46.87 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-O 120.795 0.331 . . . . 0.0 111.27 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.612 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 15.0 pt20 -100.4 176.83 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.34 35.72 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.059 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.53 -99.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 tttt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.22 -0.895 . . . . 1.0 110.851 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.581 ' HA ' HG13 ' A' ' 16' ' ' VAL . 26.4 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.817 HG11 ' HA ' ' A' ' 14' ' ' LYS . 8.1 p -65.03 -30.34 50.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.279 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -65.62 -27.59 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.38 1.86 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.734 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.836 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.8 t -75.11 160.65 30.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -119.12 18.55 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.729 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.836 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.2 mt -105.22 143.77 27.42 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 -8.4 14.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.678 2.252 . . . . 0.0 112.423 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.37 -50.48 9.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.116 0.484 . . . . 0.0 110.712 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.527 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -65.69 -26.25 67.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.933 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -72.51 84.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -142.76 -94.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.662 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.4 mtt -101.09 20.98 14.59 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.183 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.817 ' HA ' HG11 ' A' ' 2' ' ' VAL . 14.8 pttt 53.26 32.06 12.8 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.257 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.21 75.5 0.24 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.581 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.7 t -45.17 -40.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.85 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.96 -35.47 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.455 . . . . 0.0 110.69 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -34.65 59.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.695 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.3 -59.83 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.931 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 mtt -54.95 -22.63 15.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.436 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -20.27 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.272 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.13 -10.85 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.28 -30.55 6.88 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.76 0.314 . . . . 0.0 111.375 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 11.0 pt20 46.25 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.33 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.29 76.75 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.43 -71.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttm . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.287 -0.863 . . . . 1.0 110.914 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.762 ' HA ' HG13 ' A' ' 16' ' ' VAL . 3.5 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.025 0.441 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.2 p -65.07 -31.45 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.258 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -27.96 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.67 4.04 52.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.637 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.867 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.9 t -75.1 161.03 29.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -119.55 19.31 12.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.867 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.5 mt -105.1 143.91 27.68 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-O 120.71 0.29 . . . . 0.0 111.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.78 44.91 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.852 2.368 . . . . 0.0 112.313 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.56 -46.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 0.0 110.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.722 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -67.64 -35.95 79.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.927 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -68.15 84.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.637 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 13' ' ' MET . 98.0 m -131.94 -83.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 13.0 mtt -109.71 7.54 24.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 78.82 22.81 0.63 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.199 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.41 74.99 0.16 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.951 0.405 . . . . 0.0 110.646 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -51.33 -30.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.03 -35.37 79.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.793 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.794 ' O ' HG22 ' A' ' 21' ' ' THR . 0.7 OUTLIER -75.8 -31.19 59.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -74.99 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 mtt -55.41 -22.6 20.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.518 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -64.83 -25.07 67.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.38 -11.33 5.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.263 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.32 146.15 39.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.856 0.36 . . . . 0.0 111.234 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.613 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -117.35 179.55 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 85.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.33 -80.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.475 ' HA ' HG13 ' A' ' 16' ' ' VAL . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.022 0.439 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.1 p -58.63 -44.1 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.265 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -61.0 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.44 2.89 54.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.863 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.9 t -75.03 161.15 29.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -119.38 19.3 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.863 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.5 mt -105.09 144.07 28.01 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.83 44.92 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.876 2.384 . . . . 0.0 112.306 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.72 -46.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.608 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -67.17 -30.63 70.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.51 84.89 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.9 m -131.22 -81.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtt -112.37 5.99 18.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HA ' HG11 ' A' ' 2' ' ' VAL . 1.0 OUTLIER 81.35 21.33 0.36 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -66.21 75.42 0.09 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.671 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 2' ' ' VAL . 21.3 t -51.24 -32.16 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.529 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.75 -35.28 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.793 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER -75.73 -31.01 59.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.871 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -75.17 -58.86 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.045 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 mmm -55.55 -22.58 22.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.688 0.28 . . . . 0.0 111.493 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -64.67 -25.17 67.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.374 . . . . 0.0 111.205 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.26 -11.58 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.25 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.09 143.37 44.46 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.863 0.363 . . . . 0.0 111.239 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 17.4 pt20 -97.79 175.1 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.24 116.91 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.13 -105.62 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.562 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.0 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.769 HG12 HG22 ' A' ' 16' ' ' VAL . 8.9 p -58.8 -38.0 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -57.11 -22.23 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.83 -2.24 23.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.872 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.837 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.2 t -75.28 160.9 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -121.78 19.76 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.576 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.6 mt -105.31 125.96 32.16 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 33.5 Cg_exo -60.97 -17.54 52.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -72.38 -53.51 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.199 0.523 . . . . 0.0 110.608 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' O ' HG21 ' A' ' 2' ' ' VAL . 4.4 m -65.24 -16.31 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 25.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.508 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -65.24 -76.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.748 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 mmm -120.65 4.79 10.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 81.3 21.76 0.35 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -65.42 77.26 0.06 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.769 HG22 HG12 ' A' ' 2' ' ' VAL . 21.0 t -45.01 -43.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.874 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.77 -35.44 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.782 ' O ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -75.78 -29.2 58.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.9 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 12.2 t60 -76.24 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.089 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 ttp -55.81 -22.45 24.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 111.156 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -127.34 -15.33 5.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.22 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -108.95 -173.0 2.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 120.834 0.35 . . . . 0.0 111.242 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -172.29 127.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.67 132.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.58 -72.19 0.79 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.266 -0.874 . . . . 1.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.724 ' HA ' HG13 ' A' ' 16' ' ' VAL . 37.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.034 0.445 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.744 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.7 p -58.86 -32.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.251 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -61.04 -28.82 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.22 2.35 48.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.633 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.86 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.6 t -75.12 160.65 30.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -118.01 19.04 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.86 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.8 mt -105.24 144.88 29.67 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-O 120.704 0.288 . . . . 0.0 111.179 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.86 -11.32 15.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -78.92 -55.54 5.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.657 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.744 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.0 m -60.31 -26.69 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -71.13 84.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.625 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.826 HG22 ' HG3' ' A' ' 13' ' ' MET . 95.8 m -124.2 -80.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.826 ' HG3' HG22 ' A' ' 12' ' ' THR . 37.0 mtt -132.22 17.79 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HA ' HG11 ' A' ' 2' ' ' VAL . 2.5 pttt 81.12 19.17 0.45 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.255 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.16 75.25 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.691 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.724 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -50.89 -32.29 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.512 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.32 -35.39 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.145 0.498 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.81 -37.72 58.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 40.8 t60 -77.33 -20.91 54.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.633 ' HG3' HG12 ' A' ' 16' ' ' VAL . 25.5 mtt -90.01 17.92 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.645 0.259 . . . . 0.0 111.364 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.01 -6.0 10.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.023 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.06 -22.43 0.63 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.56 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -103.97 142.57 34.21 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 120.827 0.346 . . . . 0.0 111.27 -178.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.604 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 15.8 pt20 -96.21 175.13 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.28 142.76 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.85 54.73 1.48 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.199 -0.905 . . . . 1.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.687 ' HA ' HG13 ' A' ' 16' ' ' VAL . 23.9 mt-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.748 HG12 HG22 ' A' ' 16' ' ' VAL . 9.4 p -65.03 -39.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.371 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 2' ' ' VAL . 2.1 tpt180 -56.23 -22.84 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.01 36.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.862 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 t -75.31 161.36 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -119.73 17.25 12.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.764 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.862 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.0 mt -105.29 145.71 31.32 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 111.223 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.95 -13.91 13.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -75.59 -52.12 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' O ' HG21 ' A' ' 2' ' ' VAL . 4.2 m -65.96 -15.83 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.15 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -85.98 25.17 1.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.589 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.414 HG22 ' HG3' ' A' ' 13' ' ' MET . 89.9 m -65.71 -75.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.767 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.414 ' HG3' HG22 ' A' ' 12' ' ' THR . 3.5 mtp -122.39 4.62 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 81.38 21.56 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -65.27 77.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 110.671 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.748 HG22 HG12 ' A' ' 2' ' ' VAL . 21.6 t -44.48 -44.07 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.928 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.04 -35.41 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.999 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.78 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 t-20 -75.82 -28.99 58.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.879 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.8 t60 -76.45 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.14 -22.09 26.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.723 0.296 . . . . 0.0 111.381 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -63.15 -26.14 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.95 -17.87 4.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.131 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -105.66 117.05 33.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -72.8 -174.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 35.65 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.065 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.14 -43.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tptm . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.247 -0.882 . . . . 1.0 110.894 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.687 ' HA ' HG13 ' A' ' 16' ' ' VAL . 7.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.068 0.461 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.761 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.6 p -60.63 -32.61 52.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.256 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.33 -29.24 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.81 1.54 53.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.622 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.857 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.0 t -75.18 160.79 30.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -117.55 18.45 14.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.6 mt -105.25 145.02 29.96 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.729 0.3 . . . . 0.0 111.191 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.46 -9.35 14.91 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.77 -53.5 6.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.194 0.521 . . . . 0.0 110.73 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.761 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -62.9 -28.46 70.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.796 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -71.28 84.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.886 HG22 ' HG3' ' A' ' 13' ' ' MET . 94.2 m -124.27 -80.18 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.886 ' HG3' HG22 ' A' ' 12' ' ' THR . 20.8 mtt -130.45 16.67 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 81.86 18.92 0.37 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.28 75.13 0.14 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.687 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.0 t -51.58 -31.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.2 -35.44 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -75.77 -39.11 57.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.56 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.5 t60 -75.7 -20.8 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.0 mmm -90.32 18.58 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 0.0 111.292 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 -5.68 10.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.45 -22.52 0.6 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -103.85 -177.12 3.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 120.814 0.34 . . . . 0.0 111.246 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 9.9 pt20 -153.78 -177.3 6.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 78.55 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.063 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.27 45.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 16' ' ' VAL . 17.4 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.06 0.457 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.737 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.3 p -64.98 -31.14 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.293 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -67.25 -27.57 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 3.97 52.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.716 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.864 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.5 t -75.09 161.14 29.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -119.09 19.23 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.864 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.6 mt -105.1 143.23 26.31 Favored Pre-proline 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.3 . . . . 0.0 111.215 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.7 44.89 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.887 2.391 . . . . 0.0 112.298 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -139.29 -47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.167 0.508 . . . . 0.0 110.781 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.737 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -65.86 -29.2 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.024 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -70.03 84.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.632 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.717 HG22 ' HG2' ' A' ' 13' ' ' MET . 97.2 m -125.54 -81.46 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.717 ' HG2' HG22 ' A' ' 12' ' ' THR . 14.3 mmt -121.96 13.1 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.0 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HA ' HG11 ' A' ' 2' ' ' VAL . 2.5 pttt 81.15 20.08 0.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -66.83 75.35 0.11 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.749 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.4 t -50.74 -35.64 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.531 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.26 -35.25 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.054 0.454 . . . . 0.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.81 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 19.3 t60 -78.36 -58.91 3.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.009 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttt -55.19 -22.38 17.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.438 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.19 -19.15 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.1 -8.61 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.56 -172.71 2.24 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 120.814 0.34 . . . . 0.0 111.235 -178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.616 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 32.8 mt-30 -132.8 179.85 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.33 145.45 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.15 38.37 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.92 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.725 ' HA ' HG13 ' A' ' 16' ' ' VAL . 37.6 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.024 0.44 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.785 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.0 p -59.33 -34.62 54.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.239 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.6 -29.06 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 2.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.646 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.861 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.9 t -75.14 160.64 30.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -117.03 18.73 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.8 mt -105.27 144.74 29.4 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.1 -9.58 15.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.685 2.257 . . . . 0.0 112.378 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.93 -54.61 5.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.192 0.52 . . . . 0.0 110.713 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.785 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.6 m -61.25 -28.36 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 84.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -122.45 -80.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 3.8 mmt -134.26 19.89 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 82.32 18.52 0.33 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -66.73 75.14 0.11 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.725 HG13 ' HA ' ' A' ' 1' ' ' GLU . 20.4 t -52.67 -32.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.529 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -35.42 71.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.125 0.488 . . . . 0.0 110.656 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.91 -37.58 58.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.522 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.9 t60 -77.69 -20.59 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.471 ' HG3' HG12 ' A' ' 16' ' ' VAL . 16.3 mtt -90.46 18.04 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.705 0.288 . . . . 0.0 111.308 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.34 -5.77 10.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.078 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.25 -22.5 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -104.05 164.56 11.62 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.849 0.357 . . . . 0.0 111.249 -178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.612 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 26.3 mt-30 -108.73 178.04 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 160.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.39 -80.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.737 ' HA ' HG13 ' A' ' 16' ' ' VAL . 48.8 mt-10 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.056 0.455 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.8 p -59.2 -30.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -63.84 -27.45 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.47 41.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.76 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.824 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.7 t -75.14 160.61 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.989 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -120.54 20.92 11.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.824 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.6 mt -105.21 126.13 31.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.189 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 31.7 Cg_exo -61.14 -17.07 50.16 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.91 -56.6 4.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.166 0.508 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.627 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.4 m -60.45 -24.39 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.672 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -77.48 84.88 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.596 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -136.1 -82.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.1 mmm -114.15 8.38 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.644 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 75.93 25.3 1.12 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -66.04 75.89 0.08 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.711 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.737 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.2 t -49.04 -41.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.574 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.12 -35.25 73.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -30.68 59.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.768 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.578 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 15.6 t60 -78.76 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.2 mtt -54.75 -22.77 15.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.402 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -19.41 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.326 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -7.64 3.05 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.578 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -117.17 154.3 31.34 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 120.795 0.331 . . . . 0.0 111.296 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 86.1 mt-30 -96.21 174.19 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.27 152.77 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.88 33.47 3.77 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.274 -0.869 . . . . 1.0 110.919 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.771 ' HA ' HG13 ' A' ' 16' ' ' VAL . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.635 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.3 p -58.9 -30.51 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -65.16 -27.51 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.75 -1.17 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.723 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.825 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.9 t -75.21 160.92 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.35 20.46 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.612 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.3 mt -105.26 125.84 32.5 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.232 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 33.6 Cg_exo -60.9 -17.35 50.48 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -72.63 -56.54 5.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.494 . . . . 0.0 110.593 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.621 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.5 m -60.02 -22.8 63.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -78.98 84.87 4.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.8 m -134.39 -82.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 1.6 mtt -114.93 8.74 15.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.069 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.635 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 75.46 24.3 1.38 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.22 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -66.87 75.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.657 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.771 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -47.44 -39.48 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.667 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.66 -35.26 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 110.782 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -31.09 59.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.76 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.2 t60 -78.44 -59.26 2.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.023 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -22.68 15.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.383 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -19.3 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.298 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -8.06 3.05 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.84 164.48 14.61 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 120.847 0.356 . . . . 0.0 111.278 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.61 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 11.5 mt-30 -121.2 177.63 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.33 113.28 0.05 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.38 -71.96 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tptm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.873 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.692 ' HA ' HG13 ' A' ' 16' ' ' VAL . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 121.045 0.45 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.553 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.0 p -58.5 -30.65 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -28.53 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.78 1.71 48.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.677 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.858 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.0 t -75.14 161.21 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -119.3 18.45 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.858 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.24 145.24 30.38 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.48 -11.25 14.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -78.32 -52.04 9.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.227 0.537 . . . . 0.0 110.655 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -65.55 -26.01 67.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.82 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 84.88 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 13' ' ' MET . 97.3 m -134.31 -81.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.495 ' HG2' HG22 ' A' ' 12' ' ' THR . 18.5 mmt -114.11 6.0 16.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER 80.44 22.24 0.44 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -65.19 76.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.727 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.5 t -49.18 -40.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.579 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.3 -35.2 75.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.049 0.452 . . . . 0.0 110.811 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.763 ' O ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -75.46 -28.89 59.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.86 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.0 t60 -78.32 -57.0 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.9 mtt -56.92 -21.58 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.712 0.291 . . . . 0.0 111.426 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -62.17 -27.03 68.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.5 p-80 -126.14 -21.2 4.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.085 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.783 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.634 ' HA ' HG13 ' A' ' 16' ' ' VAL . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.055 0.455 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.846 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.1 p -65.02 -30.69 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.287 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -60.15 -28.28 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.64 2.15 41.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.727 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.859 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.8 t -75.17 160.5 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -122.34 20.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.697 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.28 145.58 31.06 Favored Pre-proline 0 C--N 1.333 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.26 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.25 -11.96 14.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -77.76 -49.77 13.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.146 0.498 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.461 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -69.87 -26.44 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -72.73 84.91 1.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -145.2 -94.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 5.3 mmm -101.56 21.08 14.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.82 0.343 . . . . 0.0 110.166 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.846 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 53.08 35.26 19.14 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.253 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.7 76.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.391 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.634 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -44.85 -40.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.727 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.66 -35.5 79.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.453 . . . . 0.0 110.63 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.768 ' O ' HG22 ' A' ' 21' ' ' THR . 8.5 t-20 -75.82 -32.52 59.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 13.6 t60 -75.19 -56.65 4.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.401 ' HA ' ' HE3' ' A' ' 20' ' ' MET . 0.2 OUTLIER -57.95 -20.89 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.533 -179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -62.06 -26.97 68.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 111.162 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p-80 -126.11 -25.61 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.908 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.827 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 16' ' ' VAL . 27.1 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.083 0.468 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.585 HG12 HG22 ' A' ' 16' ' ' VAL . 7.8 p -58.35 -30.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -27.06 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.68 -0.64 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.702 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.834 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.8 t -75.18 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -120.89 21.15 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.834 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.9 mt -105.36 127.85 27.77 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.3 Cg_exo -62.13 -16.42 50.4 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.496 2.131 . . . . 0.0 112.31 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.19 -56.83 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.159 0.504 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.1 m -60.94 -25.92 67.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.773 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.0 84.85 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.9 m -133.3 -81.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.1 mmt -114.62 6.13 15.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.7 OUTLIER 80.33 21.66 0.48 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.175 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -66.04 76.1 0.09 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.673 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.7 t -48.47 -39.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.741 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.69 -35.23 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.994 0.426 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.761 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 t-20 -75.67 -29.27 59.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.952 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 11.1 t60 -78.07 -57.03 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 ttp -56.78 -21.63 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -62.96 -26.63 68.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.179 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.61 -19.11 4.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.152 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 120.837 0.351 . . . . 0.0 111.273 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.493 ' HA ' HG13 ' A' ' 16' ' ' VAL . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.067 0.461 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.1 p -56.37 -31.89 34.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -27.46 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.18 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.735 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.826 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.1 t -75.21 160.7 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -118.79 19.7 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.655 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.826 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.1 mt -105.26 126.62 30.5 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.234 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.7 Cg_exo -62.03 -15.91 46.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.469 2.112 . . . . 0.0 112.385 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.99 -55.95 5.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.585 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.6 m -61.14 -26.7 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.658 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.11 84.88 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -133.6 -80.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.6 mmm -116.03 5.85 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.214 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER 80.13 22.37 0.47 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.837 0.351 . . . . 0.0 111.226 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.45 76.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.536 HG22 HG12 ' A' ' 2' ' ' VAL . 21.0 t -48.66 -37.04 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.732 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.47 -35.43 75.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.851 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.8 t60 -77.73 -59.81 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.11 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.99 -22.52 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.466 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.31 -19.62 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.275 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.2 p-80 -133.15 -9.96 2.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 120.827 0.346 . . . . 0.0 111.275 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.765 ' HA ' HG13 ' A' ' 16' ' ' VAL . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.015 0.436 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.776 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.2 p -64.96 -31.07 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.62 -28.87 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.09 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.67 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.2 t -75.09 161.04 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -116.01 16.99 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.9 mt -105.19 143.55 26.98 Favored Pre-proline 0 CA--C 1.528 0.116 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.07 -5.79 13.81 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.664 2.243 . . . . 0.0 112.506 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.99 -50.84 7.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.128 0.49 . . . . 0.0 110.75 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.776 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.8 m -63.88 -27.81 69.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.883 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 84.93 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.637 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.427 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.6 m -133.47 -81.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.942 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.4 mtt -114.25 8.1 16.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.683 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 76.98 23.3 0.97 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.255 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -67.16 75.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.664 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.765 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.8 t -47.78 -39.67 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.624 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.1 -35.18 72.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.099 0.475 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -30.92 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.846 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.0 t60 -78.7 -59.51 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.5 mtt -54.88 -22.63 15.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -19.67 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.268 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.81 -8.87 3.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 120.853 0.359 . . . . 0.0 111.256 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.533 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.989 0.423 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.796 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.4 p -65.08 -30.34 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.03 -28.64 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.75 0.59 55.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.714 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.838 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.2 t -75.14 160.95 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -118.97 18.14 13.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.838 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.2 mt -105.18 143.64 27.17 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-O 120.71 0.291 . . . . 0.0 111.178 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.25 -9.2 15.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 112.376 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.59 -50.87 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.107 0.479 . . . . 0.0 110.699 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -65.07 -25.51 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -73.9 84.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.776 HG22 ' HG2' ' A' ' 13' ' ' MET . 98.7 m -142.22 -94.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.776 ' HG2' HG22 ' A' ' 12' ' ' THR . 16.9 mmm -100.72 21.14 13.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.826 0.346 . . . . 0.0 110.139 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.796 ' HA ' HG11 ' A' ' 2' ' ' VAL . 13.9 ptmt 53.33 31.79 12.5 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.17 75.45 0.23 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.533 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -45.33 -39.96 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.758 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.1 -35.58 75.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.068 0.461 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -34.76 59.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.649 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.12 -59.97 2.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -22.84 15.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.382 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -20.11 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.191 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.55 -8.71 3.24 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.814 0 CA-C-O 120.862 0.363 . . . . 0.0 111.254 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.484 ' HA ' HG13 ' A' ' 16' ' ' VAL . 38.3 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.021 0.438 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' ' 14' ' ' LYS . 8.5 p -57.05 -31.53 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.284 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -67.04 -27.82 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.9 -1.29 46.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.716 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.846 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.1 t -75.18 161.11 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -119.84 19.74 12.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.686 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.8 mt -105.27 126.59 30.57 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.197 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.7 Cg_exo -61.96 -16.29 48.82 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.442 2.095 . . . . 0.0 112.405 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -73.45 -56.3 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.4 m -60.45 -25.12 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.657 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -75.87 84.9 2.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.435 HG22 ' HG3' ' A' ' 13' ' ' MET . 96.1 m -126.38 -81.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.435 ' HG3' HG22 ' A' ' 12' ' ' THR . 7.8 mtt -126.82 15.74 7.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 81.73 22.39 0.29 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.96 75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 1' ' ' GLU . 19.5 t -51.64 -38.69 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.61 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.52 -35.32 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.63 -31.26 59.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.829 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.7 t60 -79.03 -59.1 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.074 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -21.95 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -20.65 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.275 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.475 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.4 p-80 -132.2 -13.1 3.14 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.809 0 CA-C-O 120.837 0.351 . . . . 0.0 111.256 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.587 ' HA ' HG13 ' A' ' 16' ' ' VAL . 9.1 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.125 0.488 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.733 HG12 HG22 ' A' ' 16' ' ' VAL . 9.4 p -56.64 -33.33 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.398 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.55 2.57 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.692 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.844 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.4 t -75.12 160.19 30.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -117.72 17.78 14.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.844 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.36 144.21 28.35 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.57 -6.2 14.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.608 2.205 . . . . 0.0 112.489 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -83.38 -48.58 10.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.773 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -71.08 -30.1 66.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 84.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.404 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.5 m -131.98 -80.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.404 ' HG3' HG22 ' A' ' 12' ' ' THR . 12.0 mtt -114.9 6.13 15.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.3 OUTLIER 81.13 20.33 0.41 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.19 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -66.84 75.45 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.687 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.733 HG22 HG12 ' A' ' 2' ' ' VAL . 20.6 t -50.37 -33.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.604 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.99 -35.38 71.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.161 0.505 . . . . 0.0 110.651 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -75.86 -37.31 59.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 34.2 t60 -76.99 -21.98 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.1 ttt -88.45 17.19 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.685 0.278 . . . . 0.0 111.448 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.49 -5.49 10.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.023 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.3 p-80 -142.91 -19.46 0.66 Allowed 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.802 0 CA-C-O 120.795 0.331 . . . . 0.0 111.31 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.77 ' HA ' HG13 ' A' ' 16' ' ' VAL . 48.4 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.799 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.5 p -62.51 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -27.55 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.7 2.64 49.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.838 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.0 t -75.12 160.94 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -113.59 15.89 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.838 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.0 mt -105.26 143.6 27.09 Favored Pre-proline 0 C--N 1.334 -0.094 0 CA-C-O 120.737 0.303 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.9 2.11 8.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.635 2.224 . . . . 0.0 112.553 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.54 -46.04 7.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.052 0.453 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.799 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -69.35 -34.73 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.913 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.8 84.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.2 m -131.83 -81.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.032 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 mmm -111.98 6.15 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 81.2 21.25 0.38 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.234 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -66.63 75.63 0.11 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.77 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -50.03 -39.26 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.55 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 17' ' ' LEU . 6.1 mp -58.89 -35.24 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.78 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -30.7 59.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.8 t60 -79.02 -59.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.995 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 mtt -54.91 -22.62 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -19.5 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.308 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -132.91 -8.61 3.09 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.58 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.441 -0.877 0 CA-C-O 120.795 0.331 . . . . 0.0 111.27 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.581 ' HA ' HG13 ' A' ' 16' ' ' VAL . 26.4 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.817 HG11 ' HA ' ' A' ' 14' ' ' LYS . 8.1 p -65.03 -30.34 50.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.279 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -65.62 -27.59 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.38 1.86 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.734 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.836 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.8 t -75.11 160.65 30.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -119.12 18.55 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.729 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.836 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.2 mt -105.22 143.77 27.42 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 -8.4 14.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.678 2.252 . . . . 0.0 112.423 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.37 -50.48 9.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.116 0.484 . . . . 0.0 110.712 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.527 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -65.69 -26.25 67.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.933 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -72.51 84.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -142.76 -94.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.662 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.4 mtt -101.09 20.98 14.59 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.183 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.817 ' HA ' HG11 ' A' ' 2' ' ' VAL . 14.8 pttt 53.26 32.06 12.8 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.257 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.21 75.5 0.24 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.581 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.7 t -45.17 -40.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.85 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.96 -35.47 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.455 . . . . 0.0 110.69 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -34.65 59.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.695 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.3 -59.83 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.931 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 mtt -54.95 -22.63 15.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.436 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -20.27 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.272 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.13 -10.85 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.78 0 CA-C-O 120.76 0.314 . . . . 0.0 111.375 -178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.762 ' HA ' HG13 ' A' ' 16' ' ' VAL . 3.5 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.025 0.441 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.2 p -65.07 -31.45 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.258 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -27.96 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.67 4.04 52.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.637 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.867 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.9 t -75.1 161.03 29.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -119.55 19.31 12.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.867 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.5 mt -105.1 143.91 27.68 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-O 120.71 0.29 . . . . 0.0 111.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.78 44.91 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.852 2.368 . . . . 0.0 112.313 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.56 -46.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 0.0 110.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.722 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -67.64 -35.95 79.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.927 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -68.15 84.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.637 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 13' ' ' MET . 98.0 m -131.94 -83.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 13.0 mtt -109.71 7.54 24.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 78.82 22.81 0.63 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.199 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.41 74.99 0.16 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.951 0.405 . . . . 0.0 110.646 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -51.33 -30.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.03 -35.37 79.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.793 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.794 ' O ' HG22 ' A' ' 21' ' ' THR . 0.7 OUTLIER -75.8 -31.19 59.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -74.99 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 mtt -55.41 -22.6 20.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.518 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -64.83 -25.07 67.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.38 -11.33 5.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.263 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.81 0 CA-C-O 120.856 0.36 . . . . 0.0 111.234 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.475 ' HA ' HG13 ' A' ' 16' ' ' VAL . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.022 0.439 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.1 p -58.63 -44.1 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.265 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -61.0 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.44 2.89 54.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.863 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.9 t -75.03 161.15 29.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -119.38 19.3 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.863 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.5 mt -105.09 144.07 28.01 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.83 44.92 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.876 2.384 . . . . 0.0 112.306 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.72 -46.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.608 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -67.17 -30.63 70.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.51 84.89 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.9 m -131.22 -81.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtt -112.37 5.99 18.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HA ' HG11 ' A' ' 2' ' ' VAL . 1.0 OUTLIER 81.35 21.33 0.36 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -66.21 75.42 0.09 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.671 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 2' ' ' VAL . 21.3 t -51.24 -32.16 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.529 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.75 -35.28 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.793 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER -75.73 -31.01 59.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.871 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -75.17 -58.86 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.045 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 mmm -55.55 -22.58 22.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.688 0.28 . . . . 0.0 111.493 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -64.67 -25.17 67.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.374 . . . . 0.0 111.205 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.26 -11.58 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.25 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.831 0 CA-C-O 120.863 0.363 . . . . 0.0 111.239 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.562 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.0 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.769 HG12 HG22 ' A' ' 16' ' ' VAL . 8.9 p -58.8 -38.0 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -57.11 -22.23 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.83 -2.24 23.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.872 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.837 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.2 t -75.28 160.9 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -121.78 19.76 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.576 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.6 mt -105.31 125.96 32.16 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 33.5 Cg_exo -60.97 -17.54 52.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -72.38 -53.51 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.199 0.523 . . . . 0.0 110.608 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' O ' HG21 ' A' ' 2' ' ' VAL . 4.4 m -65.24 -16.31 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 25.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.508 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -65.24 -76.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.748 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 mmm -120.65 4.79 10.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 81.3 21.76 0.35 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -65.42 77.26 0.06 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.769 HG22 HG12 ' A' ' 2' ' ' VAL . 21.0 t -45.01 -43.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.874 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.77 -35.44 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.782 ' O ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -75.78 -29.2 58.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.9 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 12.2 t60 -76.24 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.089 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 ttp -55.81 -22.45 24.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 111.156 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -127.34 -15.33 5.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.22 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 120.834 0.35 . . . . 0.0 111.242 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.724 ' HA ' HG13 ' A' ' 16' ' ' VAL . 37.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.034 0.445 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.744 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.7 p -58.86 -32.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.251 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -61.04 -28.82 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.22 2.35 48.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.633 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.86 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.6 t -75.12 160.65 30.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -118.01 19.04 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.86 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.8 mt -105.24 144.88 29.67 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-O 120.704 0.288 . . . . 0.0 111.179 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.86 -11.32 15.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -78.92 -55.54 5.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.657 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.744 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.0 m -60.31 -26.69 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -71.13 84.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.625 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.826 HG22 ' HG3' ' A' ' 13' ' ' MET . 95.8 m -124.2 -80.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.826 ' HG3' HG22 ' A' ' 12' ' ' THR . 37.0 mtt -132.22 17.79 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HA ' HG11 ' A' ' 2' ' ' VAL . 2.5 pttt 81.12 19.17 0.45 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.255 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -67.16 75.25 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.691 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.724 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -50.89 -32.29 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.512 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.32 -35.39 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.145 0.498 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.81 -37.72 58.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 40.8 t60 -77.33 -20.91 54.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.633 ' HG3' HG12 ' A' ' 16' ' ' VAL . 25.5 mtt -90.01 17.92 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.645 0.259 . . . . 0.0 111.364 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.01 -6.0 10.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.023 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.06 -22.43 0.63 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.56 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.763 0 CA-C-O 120.827 0.346 . . . . 0.0 111.27 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.687 ' HA ' HG13 ' A' ' 16' ' ' VAL . 23.9 mt-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.748 HG12 HG22 ' A' ' 16' ' ' VAL . 9.4 p -65.03 -39.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.371 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 2' ' ' VAL . 2.1 tpt180 -56.23 -22.84 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.01 36.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.862 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 t -75.31 161.36 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -119.73 17.25 12.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.764 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.862 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.0 mt -105.29 145.71 31.32 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 111.223 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.95 -13.91 13.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -75.59 -52.12 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' O ' HG21 ' A' ' 2' ' ' VAL . 4.2 m -65.96 -15.83 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.15 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -85.98 25.17 1.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.589 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.414 HG22 ' HG3' ' A' ' 13' ' ' MET . 89.9 m -65.71 -75.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.767 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.414 ' HG3' HG22 ' A' ' 12' ' ' THR . 3.5 mtp -122.39 4.62 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 81.38 21.56 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -65.27 77.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 110.671 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.748 HG22 HG12 ' A' ' 2' ' ' VAL . 21.6 t -44.48 -44.07 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.928 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.04 -35.41 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.999 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.78 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 t-20 -75.82 -28.99 58.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.879 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.8 t60 -76.45 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.14 -22.09 26.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.723 0.296 . . . . 0.0 111.381 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -63.15 -26.14 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.95 -17.87 4.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.131 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.687 ' HA ' HG13 ' A' ' 16' ' ' VAL . 7.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.068 0.461 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.761 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.6 p -60.63 -32.61 52.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.256 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.33 -29.24 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.81 1.54 53.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.622 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.857 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.0 t -75.18 160.79 30.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -117.55 18.45 14.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.6 mt -105.25 145.02 29.96 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.729 0.3 . . . . 0.0 111.191 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.46 -9.35 14.91 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.77 -53.5 6.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.194 0.521 . . . . 0.0 110.73 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.761 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -62.9 -28.46 70.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.796 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -71.28 84.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.886 HG22 ' HG3' ' A' ' 13' ' ' MET . 94.2 m -124.27 -80.18 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.886 ' HG3' HG22 ' A' ' 12' ' ' THR . 20.8 mtt -130.45 16.67 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 81.86 18.92 0.37 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -67.28 75.13 0.14 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.687 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.0 t -51.58 -31.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.2 -35.44 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -75.77 -39.11 57.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.56 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.5 t60 -75.7 -20.8 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.0 mmm -90.32 18.58 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 0.0 111.292 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 -5.68 10.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.45 -22.52 0.6 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.775 0 CA-C-O 120.814 0.34 . . . . 0.0 111.246 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 16' ' ' VAL . 17.4 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.06 0.457 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.737 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.3 p -64.98 -31.14 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.293 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -67.25 -27.57 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 3.97 52.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.716 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.864 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.5 t -75.09 161.14 29.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -119.09 19.23 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.864 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.6 mt -105.1 143.23 26.31 Favored Pre-proline 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.3 . . . . 0.0 111.215 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.7 44.89 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.887 2.391 . . . . 0.0 112.298 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -139.29 -47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.167 0.508 . . . . 0.0 110.781 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.737 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -65.86 -29.2 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.024 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -70.03 84.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.632 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.717 HG22 ' HG2' ' A' ' 13' ' ' MET . 97.2 m -125.54 -81.46 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.717 ' HG2' HG22 ' A' ' 12' ' ' THR . 14.3 mmt -121.96 13.1 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.0 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HA ' HG11 ' A' ' 2' ' ' VAL . 2.5 pttt 81.15 20.08 0.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -66.83 75.35 0.11 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.749 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.4 t -50.74 -35.64 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.531 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.26 -35.25 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.054 0.454 . . . . 0.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.81 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 19.3 t60 -78.36 -58.91 3.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.009 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttt -55.19 -22.38 17.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.438 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.19 -19.15 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.1 -8.61 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 120.814 0.34 . . . . 0.0 111.235 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.725 ' HA ' HG13 ' A' ' 16' ' ' VAL . 37.6 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.024 0.44 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.785 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.0 p -59.33 -34.62 54.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.239 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.6 -29.06 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 2.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.646 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.861 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.9 t -75.14 160.64 30.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -117.03 18.73 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.861 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.8 mt -105.27 144.74 29.4 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.1 -9.58 15.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.685 2.257 . . . . 0.0 112.378 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.93 -54.61 5.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.192 0.52 . . . . 0.0 110.713 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.785 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.6 m -61.25 -28.36 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 84.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -122.45 -80.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 3.8 mmt -134.26 19.89 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 82.32 18.52 0.33 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -66.73 75.14 0.11 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.725 HG13 ' HA ' ' A' ' 1' ' ' GLU . 20.4 t -52.67 -32.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.529 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -35.42 71.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.125 0.488 . . . . 0.0 110.656 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.91 -37.58 58.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.522 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.9 t60 -77.69 -20.59 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.471 ' HG3' HG12 ' A' ' 16' ' ' VAL . 16.3 mtt -90.46 18.04 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.705 0.288 . . . . 0.0 111.308 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.34 -5.77 10.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.078 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.25 -22.5 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.444 -0.762 0 CA-C-O 120.849 0.357 . . . . 0.0 111.249 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.737 ' HA ' HG13 ' A' ' 16' ' ' VAL . 48.8 mt-10 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.056 0.455 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.8 p -59.2 -30.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -63.84 -27.45 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.47 41.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.76 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.824 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.7 t -75.14 160.61 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.989 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -120.54 20.92 11.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.824 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.6 mt -105.21 126.13 31.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.189 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 31.7 Cg_exo -61.14 -17.07 50.16 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.91 -56.6 4.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.166 0.508 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.627 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.4 m -60.45 -24.39 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.672 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -77.48 84.88 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.596 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -136.1 -82.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.1 mmm -114.15 8.38 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.644 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 75.93 25.3 1.12 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -66.04 75.89 0.08 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.711 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.737 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.2 t -49.04 -41.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.574 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.12 -35.25 73.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -30.68 59.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.768 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.578 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 15.6 t60 -78.76 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.2 mtt -54.75 -22.77 15.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.402 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -19.41 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.326 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -7.64 3.05 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.578 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 120.795 0.331 . . . . 0.0 111.296 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.771 ' HA ' HG13 ' A' ' 16' ' ' VAL . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.635 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.3 p -58.9 -30.51 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -65.16 -27.51 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.75 -1.17 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.723 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.825 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.9 t -75.21 160.92 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.35 20.46 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.612 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.3 mt -105.26 125.84 32.5 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.232 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 33.6 Cg_exo -60.9 -17.35 50.48 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -72.63 -56.54 5.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.494 . . . . 0.0 110.593 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.621 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.5 m -60.02 -22.8 63.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -78.98 84.87 4.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.8 m -134.39 -82.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 1.6 mtt -114.93 8.74 15.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.069 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.635 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 75.46 24.3 1.38 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.22 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -66.87 75.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.657 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.771 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -47.44 -39.48 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.667 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.66 -35.26 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 110.782 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -31.09 59.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.76 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.2 t60 -78.44 -59.26 2.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.023 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -22.68 15.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.383 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -19.3 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.298 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -8.06 3.05 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 120.847 0.356 . . . . 0.0 111.278 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.692 ' HA ' HG13 ' A' ' 16' ' ' VAL . 26.1 mt-10 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 121.045 0.45 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.553 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.0 p -58.5 -30.65 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.321 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -28.53 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.78 1.71 48.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.677 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.858 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.0 t -75.14 161.21 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -119.3 18.45 12.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.858 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.24 145.24 30.38 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-O 120.711 0.291 . . . . 0.0 111.204 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.48 -11.25 14.43 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.642 2.228 . . . . 0.0 112.327 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -78.32 -52.04 9.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.227 0.537 . . . . 0.0 110.655 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.553 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -65.55 -26.01 67.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.82 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 84.88 3.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.636 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 13' ' ' MET . 97.3 m -134.31 -81.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.495 ' HG2' HG22 ' A' ' 12' ' ' THR . 18.5 mmt -114.11 6.0 16.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER 80.44 22.24 0.44 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.166 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -65.19 76.29 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.727 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.5 t -49.18 -40.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.579 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.3 -35.2 75.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.049 0.452 . . . . 0.0 110.811 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.763 ' O ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -75.46 -28.89 59.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.86 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.0 t60 -78.32 -57.0 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.9 mtt -56.92 -21.58 31.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.712 0.291 . . . . 0.0 111.426 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -62.17 -27.03 68.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 111.12 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.5 p-80 -126.14 -21.2 4.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.085 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.588 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -101.92 163.92 11.99 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -104.49 126.53 51.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.81 36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.83 -125.19 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.634 ' HA ' HG13 ' A' ' 16' ' ' VAL . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.055 0.455 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.846 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.1 p -65.02 -30.69 51.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.287 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -60.15 -28.28 67.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.64 2.15 41.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.727 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.859 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.8 t -75.17 160.5 30.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -122.34 20.08 10.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.697 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.28 145.58 31.06 Favored Pre-proline 0 C--N 1.333 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.26 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -79.25 -11.96 14.44 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -77.76 -49.77 13.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.146 0.498 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.461 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -69.87 -26.44 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -72.73 84.91 1.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.637 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -145.2 -94.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.484 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 5.3 mmm -101.56 21.08 14.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.82 0.343 . . . . 0.0 110.166 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.846 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 53.08 35.26 19.14 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.253 -179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.7 76.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.391 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.634 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -44.85 -40.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.727 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.66 -35.5 79.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.453 . . . . 0.0 110.63 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.768 ' O ' HG22 ' A' ' 21' ' ' THR . 8.5 t-20 -75.82 -32.52 59.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 13.6 t60 -75.19 -56.65 4.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -20.89 41.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.533 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -62.06 -26.97 68.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 111.162 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p-80 -126.11 -25.61 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.908 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -96.81 177.34 5.67 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.612 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 5.9 pt20 -135.02 -175.64 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.32 76.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.08 -76.01 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.912 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 16' ' ' VAL . 27.1 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.083 0.468 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.585 HG12 HG22 ' A' ' 16' ' ' VAL . 7.8 p -58.35 -30.93 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -27.06 68.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.68 -0.64 39.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.702 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.834 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.8 t -75.18 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -120.89 21.15 11.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.9 mt -105.36 127.85 27.77 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.217 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.3 Cg_exo -62.13 -16.42 50.4 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.496 2.131 . . . . 0.0 112.31 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -74.19 -56.83 4.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.159 0.504 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.54 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.1 m -60.94 -25.92 67.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.773 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.0 84.85 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.9 m -133.3 -81.21 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.1 mmt -114.62 6.13 15.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.18 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.7 OUTLIER 80.33 21.66 0.48 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.175 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -66.04 76.1 0.09 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.936 0.398 . . . . 0.0 110.673 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.7 t -48.47 -39.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.741 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.69 -35.23 74.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.994 0.426 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.761 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 t-20 -75.67 -29.27 59.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.952 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 11.1 t60 -78.07 -57.03 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.077 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.4 ttp -56.78 -21.63 30.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.664 0.269 . . . . 0.0 111.35 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.9 OUTLIER -62.96 -26.63 68.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.179 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.61 -19.11 4.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.152 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -104.64 -172.79 2.16 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.837 0.351 . . . . 0.0 111.273 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -171.75 134.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.32 37.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.22 122.93 1.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 1.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.493 ' HA ' HG13 ' A' ' 16' ' ' VAL . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 121.067 0.461 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.1 p -56.37 -31.89 34.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.356 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -27.46 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.18 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.735 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.826 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.1 t -75.21 160.7 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -118.79 19.7 13.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.655 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.826 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.1 mt -105.26 126.62 30.5 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.234 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.7 Cg_exo -62.03 -15.91 46.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.469 2.112 . . . . 0.0 112.385 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.99 -55.95 5.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.585 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.599 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.6 m -61.14 -26.7 67.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.658 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.11 84.88 3.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.608 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -133.6 -80.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.6 mmm -116.03 5.85 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.214 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.4 OUTLIER 80.13 22.37 0.47 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.837 0.351 . . . . 0.0 111.226 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -66.45 76.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.536 HG22 HG12 ' A' ' 2' ' ' VAL . 21.0 t -48.66 -37.04 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.732 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.47 -35.43 75.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -75.71 -31.55 59.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.851 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.589 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.8 t60 -77.73 -59.81 2.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.11 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.99 -22.52 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.466 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.31 -19.62 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.275 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.2 p-80 -133.15 -9.96 2.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.589 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -114.73 67.76 0.69 Allowed 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.827 0.346 . . . . 0.0 111.275 -178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.25 128.33 36.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.09 144.57 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.88 125.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.765 ' HA ' HG13 ' A' ' 16' ' ' VAL . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 121.015 0.436 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.776 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.2 p -64.96 -31.07 52.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.269 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.62 -28.87 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.09 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.67 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.2 t -75.09 161.04 29.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -116.01 16.99 16.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.9 mt -105.19 143.55 26.98 Favored Pre-proline 0 CA--C 1.528 0.116 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -80.07 -5.79 13.81 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.664 2.243 . . . . 0.0 112.506 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.99 -50.84 7.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.128 0.49 . . . . 0.0 110.75 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.776 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.8 m -63.88 -27.81 69.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.883 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 84.93 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.637 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.427 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.6 m -133.47 -81.99 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.942 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.4 mtt -114.25 8.1 16.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.683 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 76.98 23.3 0.97 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.255 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -67.16 75.53 0.13 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.664 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.765 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.8 t -47.78 -39.67 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.624 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.1 -35.18 72.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.099 0.475 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -30.92 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.846 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.0 t60 -78.7 -59.51 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 18.5 mtt -54.88 -22.63 15.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.417 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -19.67 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.268 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.81 -8.87 3.13 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -115.78 150.79 36.35 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 120.853 0.359 . . . . 0.0 111.256 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.617 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 5.6 pt20 -106.69 171.21 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 134.31 0.05 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.73 3.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.7 mttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.199 -0.905 . . . . 1.0 110.896 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.533 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.6 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.989 0.423 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.796 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.4 p -65.08 -30.34 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.248 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -68.03 -28.64 67.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.75 0.59 55.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.714 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.838 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.2 t -75.14 160.95 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -118.97 18.14 13.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.838 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.2 mt -105.18 143.64 27.17 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-O 120.71 0.291 . . . . 0.0 111.178 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.25 -9.2 15.2 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 112.376 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.59 -50.87 9.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.107 0.479 . . . . 0.0 110.699 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.528 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -65.07 -25.51 67.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -73.9 84.92 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.659 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.776 HG22 ' HG2' ' A' ' 13' ' ' MET . 98.7 m -142.22 -94.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.63 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.776 ' HG2' HG22 ' A' ' 12' ' ' THR . 16.9 mmm -100.72 21.14 13.94 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.826 0.346 . . . . 0.0 110.139 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.796 ' HA ' HG11 ' A' ' 2' ' ' VAL . 13.9 ptmt 53.33 31.79 12.5 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.17 75.45 0.23 Allowed 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -45.33 -39.96 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.758 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.1 -35.58 75.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.068 0.461 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -34.76 59.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.649 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.12 -59.97 2.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -22.84 15.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.382 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -20.11 64.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.191 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.55 -8.71 3.24 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -115.91 176.68 4.98 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.862 0.363 . . . . 0.0 111.254 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.61 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 12.9 pt20 -133.9 176.55 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.27 98.26 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.13 46.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.484 ' HA ' HG13 ' A' ' 16' ' ' VAL . 38.3 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.021 0.438 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' ' 14' ' ' LYS . 8.5 p -57.05 -31.53 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.284 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -67.04 -27.82 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.9 -1.29 46.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.716 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.846 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.1 t -75.18 161.11 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 p -119.84 19.74 12.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.686 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.8 mt -105.27 126.59 30.57 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.197 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 26.7 Cg_exo -61.96 -16.29 48.82 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.442 2.095 . . . . 0.0 112.405 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -73.45 -56.3 5.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.562 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.4 m -60.45 -25.12 65.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.657 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -75.87 84.9 2.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.435 HG22 ' HG3' ' A' ' 13' ' ' MET . 96.1 m -126.38 -81.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.435 ' HG3' HG22 ' A' ' 12' ' ' THR . 7.8 mtt -126.82 15.74 7.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.023 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 81.73 22.39 0.29 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.151 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -65.96 75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.739 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 1' ' ' GLU . 19.5 t -51.64 -38.69 22.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.61 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.52 -35.32 73.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.066 0.46 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.63 -31.26 59.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.829 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 21.7 t60 -79.03 -59.1 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.074 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -21.95 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.31 -20.65 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.275 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.475 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.4 p-80 -132.2 -13.1 3.14 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -111.4 -177.64 3.25 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.837 0.351 . . . . 0.0 111.256 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -152.4 124.86 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.63 77.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.93 -124.94 0.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.563 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.251 -0.881 . . . . 1.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.587 ' HA ' HG13 ' A' ' 16' ' ' VAL . 9.1 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.125 0.488 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.733 HG12 HG22 ' A' ' 16' ' ' VAL . 9.4 p -56.64 -33.33 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.398 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -26.87 68.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.55 2.57 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.692 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.844 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.4 t -75.12 160.19 30.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 p -117.72 17.78 14.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.844 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.3 mt -105.36 144.21 28.35 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.57 -6.2 14.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.608 2.205 . . . . 0.0 112.489 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -83.38 -48.58 10.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.093 0.473 . . . . 0.0 110.773 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -71.08 -30.1 66.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.924 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 84.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.404 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.5 m -131.98 -80.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.404 ' HG3' HG22 ' A' ' 12' ' ' THR . 12.0 mtt -114.9 6.13 15.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.3 OUTLIER 81.13 20.33 0.41 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.19 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -66.84 75.45 0.11 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.687 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.733 HG22 HG12 ' A' ' 2' ' ' VAL . 20.6 t -50.37 -33.82 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.604 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.99 -35.38 71.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.161 0.505 . . . . 0.0 110.651 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -75.86 -37.31 59.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.587 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 34.2 t60 -76.99 -21.98 53.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.1 ttt -88.45 17.19 5.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.685 0.278 . . . . 0.0 111.448 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.49 -5.49 10.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.023 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.3 p-80 -142.91 -19.46 0.66 Allowed 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -107.35 164.39 12.23 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.795 0.331 . . . . 0.0 111.31 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -81.11 139.87 35.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.98 119.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.09 29.4 12.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 mttt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.291 -0.861 . . . . 1.0 110.927 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.77 ' HA ' HG13 ' A' ' 16' ' ' VAL . 48.4 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.799 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.5 p -62.51 -38.41 81.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.255 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -27.55 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.7 2.64 49.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.621 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.838 ' SG ' HD12 ' A' ' 7' ' ' LEU . 11.0 t -75.12 160.94 29.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -113.59 15.89 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.981 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.838 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.0 mt -105.26 143.6 27.09 Favored Pre-proline 0 C--N 1.334 -0.094 0 CA-C-O 120.737 0.303 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.9 2.11 8.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.635 2.224 . . . . 0.0 112.553 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.54 -46.04 7.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.052 0.453 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.799 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -69.35 -34.73 75.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.913 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.8 84.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.574 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.2 m -131.83 -81.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.032 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 mmm -111.98 6.15 19.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.095 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 81.2 21.25 0.38 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.234 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -66.63 75.63 0.11 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.686 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.77 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -50.03 -39.26 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.55 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 17' ' ' LEU . 6.1 mp -58.89 -35.24 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.78 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -30.7 59.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.8 t60 -79.02 -59.32 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.995 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.7 mtt -54.91 -22.62 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.452 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -19.5 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.308 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -132.91 -8.61 3.09 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.58 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.28 142.41 46.87 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-O 120.795 0.331 . . . . 0.0 111.27 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.612 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 15.0 pt20 -100.4 176.83 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.34 35.72 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.059 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.53 -99.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.4 tttt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.22 -0.895 . . . . 1.0 110.851 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.581 ' HA ' HG13 ' A' ' 16' ' ' VAL . 26.4 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.066 0.46 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.817 HG11 ' HA ' ' A' ' 14' ' ' LYS . 8.1 p -65.03 -30.34 50.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.279 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -65.62 -27.59 68.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.38 1.86 47.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.734 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.836 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.8 t -75.11 160.65 30.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.906 0.384 . . . . 0.0 110.928 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 p -119.12 18.55 13.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.729 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.836 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.2 mt -105.22 143.77 27.42 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-O 120.701 0.286 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.56 -8.4 14.83 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.678 2.252 . . . . 0.0 112.423 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.37 -50.48 9.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.116 0.484 . . . . 0.0 110.712 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.527 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -65.69 -26.25 67.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.933 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -72.51 84.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.622 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.7 m -142.76 -94.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.662 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.471 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 2.4 mtt -101.09 20.98 14.59 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.183 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.817 ' HA ' HG11 ' A' ' 2' ' ' VAL . 14.8 pttt 53.26 32.06 12.8 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.257 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -68.21 75.5 0.24 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.441 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.581 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.7 t -45.17 -40.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.85 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.96 -35.47 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.455 . . . . 0.0 110.69 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -34.65 59.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.695 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 16.9 t60 -75.3 -59.83 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.931 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.5 mtt -54.95 -22.63 15.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.436 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 -20.27 64.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.272 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.2 p-80 -132.13 -10.85 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.28 -30.55 6.88 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.76 0.314 . . . . 0.0 111.375 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 11.0 pt20 46.25 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.33 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.29 76.75 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.43 -71.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttm . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.287 -0.863 . . . . 1.0 110.914 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.762 ' HA ' HG13 ' A' ' 16' ' ' VAL . 3.5 mp0 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.025 0.441 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.722 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.2 p -65.07 -31.45 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.258 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -27.96 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.67 4.04 52.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.637 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.867 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.9 t -75.1 161.03 29.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.841 0.353 . . . . 0.0 110.912 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -119.55 19.31 12.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.867 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.5 mt -105.1 143.91 27.68 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-O 120.71 0.29 . . . . 0.0 111.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -86.78 44.91 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.852 2.368 . . . . 0.0 112.313 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.56 -46.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 0.0 110.726 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.722 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -67.64 -35.95 79.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.927 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -68.15 84.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.637 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 13' ' ' MET . 98.0 m -131.94 -83.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 13.0 mtt -109.71 7.54 24.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 78.82 22.81 0.63 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.199 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -67.41 74.99 0.16 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.951 0.405 . . . . 0.0 110.646 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -51.33 -30.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.03 -35.37 79.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.793 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.794 ' O ' HG22 ' A' ' 21' ' ' THR . 0.7 OUTLIER -75.8 -31.19 59.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.834 179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -74.99 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.1 mtt -55.41 -22.6 20.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.709 0.29 . . . . 0.0 111.518 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -64.83 -25.07 67.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.371 . . . . 0.0 111.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.494 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.38 -11.33 5.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.263 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.579 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.32 146.15 39.9 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.856 0.36 . . . . 0.0 111.234 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.613 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -117.35 179.55 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 85.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.33 -80.64 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.246 -0.883 . . . . 1.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.475 ' HA ' HG13 ' A' ' 16' ' ' VAL . 24.0 mt-10 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 121.022 0.439 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.1 p -58.63 -44.1 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.265 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -61.0 -28.5 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.44 2.89 54.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.863 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.9 t -75.03 161.15 29.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -119.38 19.3 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.863 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.5 mt -105.09 144.07 28.01 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.752 0.311 . . . . 0.0 111.254 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.83 44.92 1.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.876 2.384 . . . . 0.0 112.306 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -139.72 -46.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.608 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.7 m -67.17 -30.63 70.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.023 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.51 84.89 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.9 m -131.22 -81.46 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtt -112.37 5.99 18.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HA ' HG11 ' A' ' 2' ' ' VAL . 1.0 OUTLIER 81.35 21.33 0.36 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -66.21 75.42 0.09 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.671 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.511 HG22 HG12 ' A' ' 2' ' ' VAL . 21.3 t -51.24 -32.16 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.529 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.75 -35.28 80.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.793 ' O ' HG22 ' A' ' 21' ' ' THR . 0.5 OUTLIER -75.73 -31.01 59.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.871 179.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 14.8 t60 -75.17 -58.86 3.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.045 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.7 mmm -55.55 -22.58 22.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.688 0.28 . . . . 0.0 111.493 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -64.67 -25.17 67.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.374 . . . . 0.0 111.205 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.3 p-80 -128.26 -11.58 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.25 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.574 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -113.09 143.37 44.46 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.863 0.363 . . . . 0.0 111.239 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 17.4 pt20 -97.79 175.1 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.24 116.91 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 170.13 -105.62 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.256 -0.878 . . . . 1.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.562 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.0 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.045 0.45 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.769 HG12 HG22 ' A' ' 16' ' ' VAL . 8.9 p -58.8 -38.0 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -57.11 -22.23 38.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.83 -2.24 23.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.872 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.837 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.2 t -75.28 160.9 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -121.78 19.76 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.576 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' SG ' ' A' ' 5' ' ' CYS . 3.6 mt -105.31 125.96 32.16 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 33.5 Cg_exo -60.97 -17.54 52.13 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.445 2.097 . . . . 0.0 112.376 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -72.38 -53.51 12.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.199 0.523 . . . . 0.0 110.608 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' O ' HG21 ' A' ' 2' ' ' VAL . 4.4 m -65.24 -16.31 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 25.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.508 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.4 m -65.24 -76.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 110.748 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 mmm -120.65 4.79 10.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 81.3 21.76 0.35 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -65.42 77.26 0.06 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.769 HG22 HG12 ' A' ' 2' ' ' VAL . 21.0 t -45.01 -43.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.874 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.77 -35.44 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.782 ' O ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -75.78 -29.2 58.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.9 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.581 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 12.2 t60 -76.24 -58.43 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.089 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.5 ttp -55.81 -22.45 24.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.706 0.289 . . . . 0.0 111.356 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -63.69 -25.84 68.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 111.156 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -127.34 -15.33 5.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.22 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -108.95 -173.0 2.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 120.834 0.35 . . . . 0.0 111.242 -178.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -172.29 127.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.67 132.91 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.58 -72.19 0.79 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.266 -0.874 . . . . 1.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.724 ' HA ' HG13 ' A' ' 16' ' ' VAL . 37.4 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.034 0.445 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.744 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.7 p -58.86 -32.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.251 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -61.04 -28.82 69.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.22 2.35 48.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.633 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.86 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.6 t -75.12 160.65 30.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -118.01 19.04 13.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.86 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.8 mt -105.24 144.88 29.67 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-O 120.704 0.288 . . . . 0.0 111.179 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.86 -11.32 15.24 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -78.92 -55.54 5.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.657 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.744 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.0 m -60.31 -26.69 66.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.832 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -71.13 84.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.625 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.826 HG22 ' HG3' ' A' ' 13' ' ' MET . 95.8 m -124.2 -80.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.977 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.826 ' HG3' HG22 ' A' ' 12' ' ' THR . 37.0 mtt -132.22 17.79 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HA ' HG11 ' A' ' 2' ' ' VAL . 2.5 pttt 81.12 19.17 0.45 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.255 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -67.16 75.25 0.13 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.691 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.724 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.3 t -50.89 -32.29 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.512 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.32 -35.39 71.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.145 0.498 . . . . 0.0 110.641 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.81 -37.72 58.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.599 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 40.8 t60 -77.33 -20.91 54.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.633 ' HG3' HG12 ' A' ' 16' ' ' VAL . 25.5 mtt -90.01 17.92 6.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.645 0.259 . . . . 0.0 111.364 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.01 -6.0 10.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.023 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.06 -22.43 0.63 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.56 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -103.97 142.57 34.21 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 120.827 0.346 . . . . 0.0 111.27 -178.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.604 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 15.8 pt20 -96.21 175.13 6.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.28 142.76 0.06 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.85 54.73 1.48 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.199 -0.905 . . . . 1.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.687 ' HA ' HG13 ' A' ' 16' ' ' VAL . 23.9 mt-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.748 HG12 HG22 ' A' ' 16' ' ' VAL . 9.4 p -65.03 -39.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.371 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 2' ' ' VAL . 2.1 tpt180 -56.23 -22.84 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.246 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.01 36.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.862 ' SG ' HD12 ' A' ' 7' ' ' LEU . 8.8 t -75.31 161.36 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -119.73 17.25 12.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.764 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.862 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.0 mt -105.29 145.71 31.32 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.728 0.299 . . . . 0.0 111.223 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.95 -13.91 13.95 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -75.59 -52.12 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.139 0.495 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' O ' HG21 ' A' ' 2' ' ' VAL . 4.2 m -65.96 -15.83 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.15 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -85.98 25.17 1.17 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.589 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.414 HG22 ' HG3' ' A' ' 13' ' ' MET . 89.9 m -65.71 -75.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.767 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.414 ' HG3' HG22 ' A' ' 12' ' ' THR . 3.5 mtp -122.39 4.62 9.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER 81.38 21.56 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -65.27 77.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.965 0.412 . . . . 0.0 110.671 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.748 HG22 HG12 ' A' ' 2' ' ' VAL . 21.6 t -44.48 -44.07 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.928 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.04 -35.41 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.063 0.459 . . . . 0.0 110.999 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.78 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 t-20 -75.82 -28.99 58.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.879 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 10.8 t60 -76.45 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.018 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.14 -22.09 26.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.723 0.296 . . . . 0.0 111.381 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -63.15 -26.14 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.4 p-80 -126.95 -17.87 4.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.131 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -105.66 117.05 33.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 -178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -72.8 -174.93 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 35.65 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.065 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.14 -43.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tptm . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.247 -0.882 . . . . 1.0 110.894 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.687 ' HA ' HG13 ' A' ' 16' ' ' VAL . 7.0 mt-10 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.068 0.461 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.761 HG23 ' HB3' ' A' ' 10' ' ' CYS . 7.6 p -60.63 -32.61 52.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.256 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -62.33 -29.24 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.81 1.54 53.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.622 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.857 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.0 t -75.18 160.79 30.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -117.55 18.45 14.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.6 mt -105.25 145.02 29.96 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.729 0.3 . . . . 0.0 111.191 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.46 -9.35 14.91 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.77 -53.5 6.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.194 0.521 . . . . 0.0 110.73 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.761 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.5 m -62.9 -28.46 70.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.796 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -71.28 84.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.632 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.886 HG22 ' HG3' ' A' ' 13' ' ' MET . 94.2 m -124.27 -80.18 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.886 ' HG3' HG22 ' A' ' 12' ' ' THR . 20.8 mtt -130.45 16.67 5.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 81.86 18.92 0.37 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -67.28 75.13 0.14 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.687 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.0 t -51.58 -31.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.556 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -58.2 -35.44 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.151 0.5 . . . . 0.0 110.585 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -75.77 -39.11 57.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.56 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.5 t60 -75.7 -20.8 58.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.0 mmm -90.32 18.58 5.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 0.0 111.292 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 -5.68 10.54 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.013 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.45 -22.52 0.6 Allowed 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -103.85 -177.12 3.28 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 120.814 0.34 . . . . 0.0 111.246 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 9.9 pt20 -153.78 -177.3 6.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 78.55 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.063 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.27 45.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.248 -0.882 . . . . 1.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.753 ' HA ' HG13 ' A' ' 16' ' ' VAL . 17.4 mt-10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 121.06 0.457 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.737 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.3 p -64.98 -31.14 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.293 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -67.25 -27.57 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 3.97 52.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.716 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.864 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.5 t -75.09 161.14 29.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -119.09 19.23 12.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.864 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.6 mt -105.1 143.23 26.31 Favored Pre-proline 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.3 . . . . 0.0 111.215 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.7 44.89 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.887 2.391 . . . . 0.0 112.298 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -139.29 -47.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.167 0.508 . . . . 0.0 110.781 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.737 ' HB3' HG23 ' A' ' 2' ' ' VAL . 3.9 m -65.86 -29.2 69.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.024 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -70.03 84.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.632 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.717 HG22 ' HG2' ' A' ' 13' ' ' MET . 97.2 m -125.54 -81.46 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.717 ' HG2' HG22 ' A' ' 12' ' ' THR . 14.3 mmt -121.96 13.1 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.0 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HA ' HG11 ' A' ' 2' ' ' VAL . 2.5 pttt 81.15 20.08 0.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.197 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -66.83 75.35 0.11 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.749 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.753 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.4 t -50.74 -35.64 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.531 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.26 -35.25 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.054 0.454 . . . . 0.0 110.793 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -31.76 59.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.81 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 19.3 t60 -78.36 -58.91 3.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.009 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 ttt -55.19 -22.38 17.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.438 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.19 -19.15 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.1 -8.61 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.56 -172.71 2.24 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 120.814 0.34 . . . . 0.0 111.235 -178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.616 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 32.8 mt-30 -132.8 179.85 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.33 145.45 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.15 38.37 6.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.204 -0.903 . . . . 1.0 110.92 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.725 ' HA ' HG13 ' A' ' 16' ' ' VAL . 37.6 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.024 0.44 . . . . 0.0 111.271 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.785 HG23 ' HB3' ' A' ' 10' ' ' CYS . 8.0 p -59.33 -34.62 54.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.239 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.6 -29.06 67.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.27 2.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.646 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.861 ' SG ' HD12 ' A' ' 7' ' ' LEU . 12.9 t -75.14 160.64 30.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 p -117.03 18.73 14.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD12 ' SG ' ' A' ' 5' ' ' CYS . 2.8 mt -105.27 144.74 29.4 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -79.1 -9.58 15.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.685 2.257 . . . . 0.0 112.378 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -80.93 -54.61 5.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.192 0.52 . . . . 0.0 110.713 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.785 ' HB3' HG23 ' A' ' 2' ' ' VAL . 4.6 m -61.25 -28.36 69.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 84.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -122.45 -80.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.02 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.402 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 3.8 mmt -134.26 19.89 3.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER 82.32 18.52 0.33 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.267 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -66.73 75.14 0.11 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.922 0.392 . . . . 0.0 110.739 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.725 HG13 ' HA ' ' A' ' 1' ' ' GLU . 20.4 t -52.67 -32.21 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.529 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -58.22 -35.42 71.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.125 0.488 . . . . 0.0 110.656 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -75.91 -37.58 58.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.522 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 42.9 t60 -77.69 -20.59 53.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.471 ' HG3' HG12 ' A' ' 16' ' ' VAL . 16.3 mtt -90.46 18.04 6.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.705 0.288 . . . . 0.0 111.308 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.34 -5.77 10.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.078 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' HD2' ' N ' ' A' ' 23' ' ' CYS . 1.4 p-80 -143.25 -22.5 0.62 Allowed 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -104.05 164.56 11.62 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.849 0.357 . . . . 0.0 111.249 -178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.612 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 26.3 mt-30 -108.73 178.04 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.3 160.18 0.11 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.39 -80.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.519 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.25 -0.881 . . . . 1.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.737 ' HA ' HG13 ' A' ' 16' ' ' VAL . 48.8 mt-10 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 121.056 0.455 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.8 p -59.2 -30.57 44.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -63.84 -27.45 69.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.47 41.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.76 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.824 ' SG ' HD12 ' A' ' 7' ' ' LEU . 10.7 t -75.14 160.61 30.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.989 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 p -120.54 20.92 11.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.824 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.6 mt -105.21 126.13 31.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.189 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 31.7 Cg_exo -61.14 -17.07 50.16 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.419 2.079 . . . . 0.0 112.389 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.91 -56.6 4.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.166 0.508 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.627 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.4 m -60.45 -24.39 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.672 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -77.48 84.88 3.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.596 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 98.0 m -136.1 -82.4 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 36.1 mmm -114.15 8.38 16.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.644 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 75.93 25.3 1.12 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.21 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -66.04 75.89 0.08 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.711 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.737 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.2 t -49.04 -41.81 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.574 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.12 -35.25 73.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.788 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.59 -30.68 59.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.768 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.578 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 15.6 t60 -78.76 -59.05 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.964 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.2 mtt -54.75 -22.77 15.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.402 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -19.41 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.326 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -7.64 3.05 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.578 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -117.17 154.3 31.34 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 120.795 0.331 . . . . 0.0 111.296 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 86.1 mt-30 -96.21 174.19 7.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.27 152.77 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.88 33.47 3.77 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.274 -0.869 . . . . 1.0 110.919 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.771 ' HA ' HG13 ' A' ' 16' ' ' VAL . 28.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.635 HG11 ' HA ' ' A' ' 14' ' ' LYS . 7.3 p -58.9 -30.51 43.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.297 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -65.16 -27.51 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.75 -1.17 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.723 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.825 ' SG ' HD12 ' A' ' 7' ' ' LEU . 9.9 t -75.21 160.92 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.989 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.35 20.46 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.612 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD12 ' SG ' ' A' ' 5' ' ' CYS . 4.3 mt -105.26 125.84 32.5 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.232 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 7' ' ' LEU . 33.6 Cg_exo -60.9 -17.35 50.48 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -72.63 -56.54 5.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.494 . . . . 0.0 110.593 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.621 ' HB3' HG23 ' A' ' 2' ' ' VAL . 5.5 m -60.02 -22.8 63.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.747 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -78.98 84.87 4.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 HG22 ' HG3' ' A' ' 13' ' ' MET . 97.8 m -134.39 -82.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.445 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 1.6 mtt -114.93 8.74 15.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.069 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.635 ' HA ' HG11 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 75.46 24.3 1.38 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.22 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -66.87 75.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.657 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.771 HG13 ' HA ' ' A' ' 1' ' ' GLU . 21.6 t -47.44 -39.48 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.667 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mt -59.66 -35.26 74.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.036 0.446 . . . . 0.0 110.782 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.64 -31.09 59.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.76 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CE1' ' CB ' ' A' ' 23' ' ' CYS . 17.2 t60 -78.44 -59.26 2.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.023 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -22.68 15.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.383 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -19.3 63.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.298 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 1.1 p-80 -133.04 -8.06 3.05 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' CB ' ' CE1' ' A' ' 19' ' ' HIS . 1.3 m -116.84 164.48 14.61 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 120.847 0.356 . . . . 0.0 111.278 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.61 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 11.5 mt-30 -121.2 177.63 5.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . 84.33 113.28 0.05 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.038 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.38 -71.96 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tptm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.873 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_