data_2gwp_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 2gwp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 121.818 0.818 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.98 141.7 28.41 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.419 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -151.18 133.29 15.22 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.197 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.1 ptmt -72.53 148.16 45.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 -65.78 4.0 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.83 177.58 0.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 122.726 0.41 . . . . 0.0 110.364 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 m -64.01 167.41 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.79 0.682 . . . . 0.0 111.377 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttmm -70.44 155.56 40.53 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -69.83 76.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.433 0.635 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.69 -13.63 1.55 Allowed Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.731 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.486 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 77.1 m-20 -72.0 -173.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.492 0.663 . . . . 0.0 112.037 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -124.46 122.07 36.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.092 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.76 139.77 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.419 0.628 . . . . 0.0 112.091 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -109.67 -43.8 3.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.246 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.82 -150.56 14.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.95 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -94.28 150.76 19.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.657 0.265 . . . . 0.0 110.938 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -111.45 -48.15 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.235 0.54 . . . . 0.0 110.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.01 -157.16 11.87 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.47 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.422 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 20.2 mt -62.74 103.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 110.377 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 67.33 27.38 8.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.695 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 6.8 m-85 -126.62 138.85 53.49 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.9 mp -117.73 150.99 38.17 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.104 0.478 . . . . 0.0 110.292 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -98.39 119.19 36.65 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -141.71 166.55 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 111.313 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.817 179.628 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 121.658 0.742 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 40.6 t -100.87 145.71 28.25 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -150.84 132.12 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.615 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 81.5 tttt -73.76 142.93 46.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.129 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 -64.15 3.8 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -179.68 0.91 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.604 0.361 . . . . 0.0 110.154 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.538 ' SG ' HG23 ' A' ' 17' ' ' VAL . 8.2 m -76.66 168.78 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.047 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.518 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 76.5 mttt -76.25 162.79 27.64 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -74.2 71.31 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.76 0.791 . . . . 0.0 109.515 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.06 -19.45 0.15 Allowed Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.915 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -79.29 -175.95 4.94 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -134.55 131.69 38.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.179 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.538 HG23 ' SG ' ' A' ' 11' ' ' CYS . 6.2 t -72.09 135.35 28.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.631 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mmm-85 -112.27 -39.7 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.6 -155.98 22.1 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.323 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.3 p -96.03 150.81 20.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.632 0.253 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.6 t -114.58 -50.49 2.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.005 0.431 . . . . 0.0 110.786 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.09 -152.39 7.98 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.72 85.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.407 0.622 . . . . 0.0 112.007 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 72.88 31.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.591 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.449 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 14.4 m-85 -119.55 138.43 53.2 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.47 148.78 41.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.271 0.558 . . . . 0.0 111.232 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -92.06 118.2 30.57 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 m -135.62 167.98 20.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 112.289 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.631 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 12.4 m . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.732 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 121.353 0.596 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 39.0 t -84.74 153.43 23.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.77 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 110.988 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 51.4 mtpt -69.81 140.96 53.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.86 -64.29 4.24 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 113.736 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p80 179.3 174.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.741 0.305 . . . . 0.0 111.044 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.4 m -65.19 169.67 5.37 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.408 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 9.5 mtmp? -91.33 168.19 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -71.8 78.02 0.86 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.749 0.785 . . . . 0.0 110.269 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.17 -21.08 0.35 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.59 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.66 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 2.3 m-20 -89.46 176.11 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.306 -0.447 . . . . 0.0 110.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 16' ' ' ARG . 2.2 ptm85 -137.73 137.5 38.37 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 18' ' ' ARG . 11.9 p -69.16 143.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.642 0.734 . . . . 0.0 112.19 -178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.633 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 42.2 mmm-85 -120.1 -37.77 3.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.549 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.6 -152.17 10.76 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.915 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 11.6 p -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -100.71 -46.7 5.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.294 0.569 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.31 -155.21 10.06 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.156 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -57.89 95.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 55.9 mtm-85 75.25 29.36 0.93 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.987 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.569 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 1.4 m-85 -127.7 131.45 49.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -116.8 145.08 43.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.325 0.583 . . . . 0.0 110.768 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -92.34 122.13 34.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -133.54 170.92 14.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.708 0.766 . . . . 0.0 112.101 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 61.1 m . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.461 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.4 p90 . . . . . 0 N--CA 1.448 -0.531 0 CA-C-O 121.76 0.79 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 33.2 t -92.16 144.78 25.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.137 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -151.55 134.11 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 110.846 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 82.4 tttt -74.48 140.31 44.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.622 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.07 -64.97 2.63 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.273 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -179.22 168.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.647 ' SG ' HG22 ' A' ' 17' ' ' VAL . 10.4 m -67.28 169.1 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.445 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.537 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 55.0 mttp -70.38 157.49 37.68 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -71.14 74.24 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.53 -17.72 0.42 Allowed Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.236 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.537 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -78.61 -168.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.783 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -137.99 134.97 35.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.271 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.647 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.9 t -74.72 137.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.311 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 9.9 mmt85 -109.95 -41.16 4.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.73 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.38 -154.96 20.35 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.231 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 p -93.46 153.67 18.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.678 0.275 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.6 t -120.08 -49.64 2.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.044 0.449 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.02 -152.66 8.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.825 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -60.55 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.492 0.663 . . . . 0.0 111.839 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 73.64 28.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.083 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 15.1 m-85 -115.4 136.62 52.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 26' ' ' LEU . 6.5 mp -115.57 144.97 43.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.086 0.47 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -90.33 120.44 31.47 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -131.31 169.32 16.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.62 0.724 . . . . 0.0 112.266 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.546 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.634 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 121.697 0.761 . . . . 0.0 112.109 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.5 t -102.18 145.28 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.112 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 51.6 ttm-85 -150.68 128.54 11.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 0.0 110.128 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.2 ptmt -74.06 144.67 44.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.225 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.97 -74.41 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.123 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -158.82 162.54 37.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.9 m -68.31 163.95 21.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.404 0.44 . . . . 0.0 110.625 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 2.6 pttt -76.09 160.93 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.624 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.4 tpm_? -73.87 66.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 122.258 1.028 . . . . 0.0 109.414 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.6 -24.57 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.067 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.652 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 42.3 m-20 -78.08 165.04 24.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -124.5 125.32 44.04 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.76 136.11 26.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.286 0.565 . . . . 0.0 111.989 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 40.5 mmm-85 -118.39 -39.69 3.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.642 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.89 -154.99 19.87 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.962 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 p -94.93 150.34 20.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.513 0.197 . . . . 0.0 110.857 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 t -109.56 -49.51 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.283 0.563 . . . . 0.0 110.088 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.31 -156.5 12.5 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.783 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.54 96.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.267 0.556 . . . . 0.0 111.632 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 72.31 29.66 2.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.996 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 9.1 m-85 -128.76 139.91 51.98 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.0 mt -115.06 151.43 34.27 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.556 0.693 . . . . 0.0 111.436 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -97.59 117.73 32.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.414 -1.266 . . . . 0.0 107.806 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.66 160.92 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.311 0.577 . . . . 0.0 111.722 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.0 m . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.066 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.473 0.654 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.3 t -93.79 137.39 33.08 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.535 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -151.14 128.78 11.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -76.74 147.73 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.49 -179.385 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.72 -64.13 4.16 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.414 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -169.49 168.66 9.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.55 0.34 . . . . 0.0 110.433 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.408 ' SG ' ' HB ' ' A' ' 17' ' ' VAL . 13.6 m -68.37 171.72 6.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.456 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.623 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.0 tmmm? -68.34 158.51 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.548 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 23.7 tpp180 -52.82 107.26 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.293 0.568 . . . . 0.0 112.101 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.57 19.07 64.68 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 114.291 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.623 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 10.8 m-20 -71.6 -170.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.72 0.76 . . . . 0.0 111.909 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -125.24 98.56 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.544 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 18' ' ' ARG . 7.2 p -66.02 137.53 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.268 0.556 . . . . 0.0 110.999 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.3 mmp_? -115.17 -36.48 4.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.004 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.07 -159.73 23.75 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.328 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -96.39 149.65 21.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.664 0.268 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.4 -47.75 3.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.278 0.561 . . . . 0.0 109.95 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.86 -156.07 11.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.884 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -62.12 93.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 74.36 27.1 1.48 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 7.0 m-85 -123.5 137.69 54.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -113.5 153.0 29.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.619 0.723 . . . . 0.0 111.597 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -105.05 108.93 20.71 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.863 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.9 155.25 47.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.168 0.508 . . . . 0.0 111.938 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.134 177.541 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 121.891 0.853 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.1 t -89.11 141.53 28.42 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.979 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -151.41 134.23 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 111.273 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 7.4 ttpm? -77.12 138.05 39.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -63.82 1.7 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.132 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.562 ' HD2' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -176.49 174.9 1.84 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.603 ' SG ' HG23 ' A' ' 17' ' ' VAL . 7.2 m -75.36 168.06 20.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.664 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HE3' ' HB3' ' A' ' 12' ' ' LYS . 15.7 mmmt -83.37 162.18 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -63.9 109.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 -18.25 9.59 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.598 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 8.2 m-20 -79.45 173.27 12.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.101 0.477 . . . . 0.0 109.984 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -134.52 126.66 29.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 11' ' ' CYS . 11.6 t -64.38 136.83 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.952 0.406 . . . . 0.0 111.001 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.646 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 4.2 mmp_? -118.37 -39.67 3.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.05 -159.44 23.26 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.554 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -95.74 151.56 19.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.727 0.298 . . . . 0.0 110.996 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.1 t -114.82 -48.37 2.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.213 0.53 . . . . 0.0 110.44 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.77 -154.21 9.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.049 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.62 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 111.53 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 26.8 mmm180 74.06 23.3 2.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.192 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 12.0 m-85 -116.02 137.38 52.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD23 ' HD2' ' A' ' 10' ' ' HIS . 5.9 mp -117.98 146.52 43.95 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.913 0.387 . . . . 0.0 110.299 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -94.05 120.86 34.88 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.79 161.11 32.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.72 0.771 . . . . 0.0 112.189 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.62 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 80.6 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.163 -1.38 . . . . 0.0 107.356 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 121.285 0.564 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.7 t -90.83 143.44 26.72 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -146.87 147.12 30.5 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.267 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -95.74 129.06 43.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.237 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -59.66 1.6 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.168 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.2 p80 179.93 161.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.794 0.331 . . . . 0.0 111.446 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 m -62.75 171.39 2.11 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.935 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' HB2' ' CG ' ' A' ' 15' ' ' ASP . 48.9 mtmt -66.06 159.08 26.8 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -61.42 104.72 0.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.1 15.25 45.63 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 1.2 m-20 -85.19 -164.0 0.93 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.678 0.739 . . . . 0.0 110.659 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.95 121.71 39.58 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.314 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 t -82.93 137.83 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.704 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -116.79 -38.52 3.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.62 0.248 . . . . 0.0 111.135 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.95 11.58 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.906 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 p -96.89 150.28 20.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.314 0.246 . . . . 0.0 111.045 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -114.86 -45.53 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.789 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.8 -157.19 12.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.427 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 28.1 mm -64.58 103.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.061 0.458 . . . . 0.0 109.967 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 68.78 22.77 7.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.579 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.448 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 10.2 m-85 -119.73 138.44 53.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.2 mp -115.65 147.7 40.52 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -90.9 116.9 29.07 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.5 m -127.19 171.84 11.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.318 -0.763 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.337 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.8 p90 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.651 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 27.7 t -90.36 151.44 21.45 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -151.8 131.68 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.0 110.618 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.6 pttp -76.02 141.21 42.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.224 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -59.28 2.51 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.771 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HD2' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -179.48 176.77 0.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.018 0.527 . . . . 0.0 109.996 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 27.3 m -69.81 168.13 15.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.516 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -81.56 153.8 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -59.03 101.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.295 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.95 -17.55 6.74 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.724 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.529 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 21.2 m-20 -84.55 176.16 8.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 110.638 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -135.99 134.99 39.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 18' ' ' ARG . 8.7 p -67.85 141.15 18.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.823 0.82 . . . . 0.0 112.884 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 34.3 mmm-85 -115.22 -38.96 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.643 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.53 -150.9 9.99 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -128.82 149.25 50.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.98 -47.88 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 110.906 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.02 -149.5 6.14 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.589 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 23' ' ' ILE . 12.4 pt -53.3 91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 69.87 25.67 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.064 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.651 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 5.5 m-85 -117.22 133.58 55.82 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.573 HD23 ' HD2' ' A' ' 10' ' ' HIS . 5.8 mp -116.88 143.78 45.29 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.313 0.578 . . . . 0.0 110.746 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.89 121.55 32.11 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 m -135.88 170.97 15.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.599 0.714 . . . . 0.0 112.055 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.545 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 26.3 m . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.659 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.771 0.796 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.88 150.48 24.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.167 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' A' ' 7' ' ' ARG . 16.1 tpt85 -148.17 150.15 33.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -92.6 138.71 31.27 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.13 -178.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.73 -57.8 4.76 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.57 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 179.84 170.74 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m -63.79 167.49 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.603 0.565 . . . . 0.0 111.155 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 8.1 mtmp? -103.65 174.61 5.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.045 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.7 116.95 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.46 -26.57 12.95 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.041 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.616 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 64.8 m-20 -76.29 170.95 15.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.75 0.786 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -136.53 128.37 29.2 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.512 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 t -65.07 136.76 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.141 0.496 . . . . 0.0 111.419 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.729 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 30.9 mmm-85 -119.09 -39.81 2.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.987 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.11 -155.03 16.06 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.507 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -98.85 149.84 22.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.722 0.296 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 t -110.07 -48.19 3.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.66 -151.53 8.02 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.647 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 23' ' ' ILE . 10.8 pt -61.2 95.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 111.339 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 66.8 26.07 9.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.499 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 7.4 m-30 -113.73 136.2 53.11 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 26' ' ' LEU . 7.9 mp -114.03 148.05 37.66 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.338 0.589 . . . . 0.0 111.141 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -97.25 115.01 26.83 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -130.53 166.67 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 112.076 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.729 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 37.3 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.589 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.9 p90 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.625 0.726 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -94.49 134.88 36.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.852 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -152.9 143.28 22.55 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.299 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 20.7 ptmt -75.45 148.52 39.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.794 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.46 -82.01 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.59 174.51 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.426 0.29 . . . . 0.0 110.71 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.519 ' SG ' HG21 ' A' ' 17' ' ' VAL . 34.9 m -67.75 169.33 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.004 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 87.9 tttt -82.09 144.61 30.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -55.94 105.82 0.22 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.373 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.39 -15.13 10.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.589 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 60.2 m-20 -79.8 -178.09 6.24 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.265 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -126.33 130.09 50.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.04 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG21 ' SG ' ' A' ' 11' ' ' CYS . 5.3 t -72.39 135.67 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.393 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -105.08 -43.94 4.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.62 -153.77 23.4 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.998 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -93.22 152.85 18.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.743 0.306 . . . . 0.0 110.812 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.7 t -117.02 -48.88 2.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.014 0.435 . . . . 0.0 110.734 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.22 -153.31 8.33 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.578 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.32 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.264 0.554 . . . . 0.0 111.907 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 75.12 24.84 1.41 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.834 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.9 m-85 -118.65 138.66 52.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.15 147.92 45.56 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.065 0.459 . . . . 0.0 110.006 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -93.53 123.24 36.71 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.9 m -134.16 169.35 17.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.399 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.752 0.787 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.5 145.19 35.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.314 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.44 136.67 17.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.2 pttm -89.72 144.69 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.25 -53.93 4.65 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.238 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -177.3 172.56 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.639 0.375 . . . . 0.0 110.546 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 58.6 m -69.11 168.33 14.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.2 ttpm? -80.38 163.78 23.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.78 123.24 16.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 5.13 73.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.617 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.572 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -92.23 -175.8 4.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.568 0.684 . . . . 0.0 111.334 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -151.81 128.18 10.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.112 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 18' ' ' ARG . 7.1 p -66.33 139.15 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.706 0.765 . . . . 0.0 111.958 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.612 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -118.35 -32.94 4.5 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.569 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.91 -168.51 33.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.149 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -97.72 150.91 20.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.462 0.172 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.3 t -113.36 -47.39 3.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.019 0.438 . . . . 0.0 110.627 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.13 -153.43 9.85 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.177 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 pt -62.26 91.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 10.9 tpt180 72.54 27.8 2.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.323 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 3.9 m-85 -118.45 136.26 53.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -121.87 150.12 42.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.622 0.725 . . . . 0.0 111.214 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -95.86 110.47 22.64 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -124.57 168.38 13.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.229 0.538 . . . . 0.0 112.044 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.592 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.941 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 N--CA 1.446 -0.668 0 CA-C-O 121.751 0.786 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.581 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 48.3 t -82.54 140.15 33.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.727 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.15 130.63 15.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 45.8 tttp -71.42 140.62 50.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.01 -86.94 1.4 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.028 -0.605 . . . . 0.0 112.882 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -160.54 160.06 31.41 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.658 0.383 . . . . 0.0 110.177 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 3.2 m -61.52 163.0 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.95 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HZ1' ' HB2' ' A' ' 12' ' ' LYS . 9.5 mtmp? -89.93 164.53 14.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.602 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -63.55 100.4 0.27 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.5 -30.17 2.62 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 45.0 m-20 -82.56 167.16 18.61 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -137.87 124.52 20.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.344 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -70.83 137.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.584 0.707 . . . . 0.0 112.005 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 72.1 mtp180 -122.4 -28.34 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.944 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.04 -148.4 6.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.486 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.0 p -127.62 175.13 8.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.17 -49.58 0.19 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' H ' ' HB2' ' A' ' 25' ' ' PHE . . . -134.25 -168.23 11.71 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.639 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 pt -62.32 93.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.668 0.747 . . . . 0.0 111.629 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.492 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 9.5 ttm105 71.58 34.13 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.507 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 18.8 m-85 -118.34 133.64 55.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -110.83 148.85 31.51 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.47 0.652 . . . . 0.0 111.506 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -94.54 111.61 23.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.374 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.8 166.7 16.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.023 0.439 . . . . 0.0 111.472 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HD3' ' A' ' 18' ' ' ARG . 10.4 m . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.186 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.6 t -84.95 144.94 28.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.131 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -150.67 128.57 11.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.905 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.3 pttp -72.03 141.36 49.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.421 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.96 -64.2 4.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.576 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.764 ' HA ' HD11 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 179.11 174.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.705 0.402 . . . . 0.0 110.776 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.6 m -62.84 165.97 6.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.285 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.686 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttpm? -78.3 159.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -67.93 83.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.63 -18.83 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.399 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.686 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -74.6 -171.21 1.19 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.783 0.802 . . . . 0.0 112.294 -179.172 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttm-85 -137.79 125.42 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.608 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 18' ' ' ARG . 9.8 p -73.45 142.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.341 0.591 . . . . 0.0 111.718 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' HG22 ' A' ' 17' ' ' VAL . 12.1 mmt85 -114.61 -42.74 3.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.909 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.95 -153.13 16.34 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.236 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 p -93.58 150.76 20.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.527 0.203 . . . . 0.0 111.012 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.7 t -113.74 -49.31 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 110.33 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.42 -154.47 9.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.083 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.739 ' H ' HD11 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -60.57 93.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 111.445 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 70.31 27.71 4.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.325 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.6 m-85 -121.66 138.43 54.34 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.764 HD11 ' HA ' ' A' ' 10' ' ' HIS . 73.3 mt -115.5 149.04 38.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -93.15 116.96 29.52 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.061 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -134.12 172.96 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.259 0.552 . . . . 0.0 111.354 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.909 178.88 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.44 -0.937 0 CA-C-O 121.276 0.56 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.9 t -96.85 138.82 33.81 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.904 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -150.89 148.6 28.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.161 0.505 . . . . 0.0 110.766 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.29 142.59 27.61 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.422 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -58.32 4.57 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.871 -0.604 . . . . 0.0 113.536 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.87 -179.61 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.947 0.403 . . . . 0.0 111.707 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' SG ' HG21 ' A' ' 17' ' ' VAL . 25.1 m -73.5 169.64 16.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.226 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 74.2 tttt -68.6 148.06 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -59.97 98.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.597 0.237 . . . . 0.0 110.783 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.55 -14.11 11.88 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.052 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.527 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 59.2 m-20 -73.4 -165.01 0.22 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.264 0.532 . . . . 0.0 111.791 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -136.92 126.27 24.89 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.413 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG21 ' SG ' ' A' ' 11' ' ' CYS . 2.8 t -69.82 143.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -120.83 -38.31 2.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.71 -158.42 22.8 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.288 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 p -99.55 150.01 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.591 0.234 . . . . 0.0 110.767 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.2 t -108.27 -48.28 3.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.448 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.76 -152.7 8.57 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.131 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.43 93.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 111.682 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 69.75 29.85 4.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.058 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 6.2 m-85 -121.54 137.98 54.5 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 26' ' ' LEU . 7.1 mp -115.24 150.88 35.46 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.054 0.454 . . . . 0.0 110.552 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.56 116.23 31.71 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.16 161.07 37.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.264 0.554 . . . . 0.0 111.911 -177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 177.808 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.6 p90 . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 121.312 0.577 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.42 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.1 t -82.43 140.37 33.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.801 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -150.2 133.46 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 0.0 111.012 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -72.52 143.2 48.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.828 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.32 -61.44 4.18 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.629 -0.714 . . . . 0.0 114.21 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.58 177.76 2.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.825 0.345 . . . . 0.0 110.743 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' HG23 ' A' ' 17' ' ' VAL . 5.8 m -72.71 167.61 20.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.814 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 15' ' ' ASP . 23.4 tptm -76.14 147.44 38.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.08 96.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.54 -21.87 3.76 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.68 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.446 ' CG ' ' HB3' ' A' ' 12' ' ' LYS . 70.1 m-20 -70.35 179.33 2.5 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.442 0.639 . . . . 0.0 111.011 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' CG ' ' HB2' ' A' ' 29' ' ' CYS . 10.4 ptp85 -125.88 125.36 42.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.822 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.52 HG23 ' SG ' ' A' ' 11' ' ' CYS . 4.3 t -71.19 139.26 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.177 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 4.6 mmp_? -123.13 -40.15 2.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.08 -158.2 20.4 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.763 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 p -99.3 150.29 22.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.598 0.237 . . . . 0.0 110.841 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 42.1 t -107.26 -46.19 3.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.379 0.609 . . . . 0.0 109.957 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.1 -156.67 14.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.67 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.3 pt -63.24 97.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 25.2 mmm180 73.44 24.28 2.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.305 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 1.2 m-85 -121.9 136.15 54.91 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -114.58 153.72 29.59 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.006 0.432 . . . . 0.0 110.579 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -106.71 113.26 26.65 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.63 155.88 47.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 111.208 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.404 ' HB2' ' CG ' ' A' ' 16' ' ' ARG . 2.8 m . . . . . 0 C--N 1.315 -0.92 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.696 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 121.461 0.648 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.77 141.05 29.21 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.125 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 63.1 ttt180 -151.35 132.47 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.621 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 8' ' ' LYS . 14.5 ttpp -78.19 62.43 2.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.719 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.59 -109.21 0.26 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.339 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.451 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.1 m80 -148.86 168.97 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 3.5 m -63.98 162.32 14.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HZ2' ' CG ' ' A' ' 15' ' ' ASP . 10.2 mtmp? -82.86 159.47 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -64.43 90.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.02 0.438 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.15 -24.8 2.22 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 66.2 m-20 -77.73 176.99 8.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 110.366 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -128.79 132.1 47.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.85 137.26 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.434 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -116.79 -39.45 3.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.74 -155.53 24.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.196 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.0 p -98.39 148.72 23.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.649 0.261 . . . . 0.0 110.575 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -98.72 -48.41 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.343 0.592 . . . . 0.0 109.908 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.17 -156.54 13.13 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.589 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.6 pt -60.9 97.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 111.658 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 71.48 33.21 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -131.53 136.84 48.18 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.3 157.88 17.27 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.028 0.442 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -119.8 116.63 26.28 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.11 161.56 32.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.129 0.49 . . . . 0.0 111.455 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.316 -0.864 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.532 177.795 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.0 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.196 0.522 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.7 t -93.14 149.93 20.88 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.264 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -152.75 129.99 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.244 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 24.3 pttm -77.3 142.88 39.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 111.433 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -61.44 3.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 113.792 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.499 ' HA ' HD13 ' A' ' 26' ' ' LEU . 22.1 p-80 -177.07 161.73 1.93 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.475 0.179 . . . . 0.0 110.779 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.599 ' SG ' HG21 ' A' ' 17' ' ' VAL . 30.4 m -65.64 169.23 6.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.486 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.445 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.62 153.23 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 79.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.625 . . . . 0.0 110.269 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.58 -17.46 0.76 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.024 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 2.2 m-20 -79.68 -173.59 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 111.341 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -143.37 132.24 22.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.139 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.599 HG21 ' SG ' ' A' ' 11' ' ' CYS . 10.5 t -69.44 139.34 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.037 0.446 . . . . 0.0 111.646 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HD2' ' C ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -121.2 -36.8 3.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.0 -153.23 10.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.499 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 p -127.92 148.03 50.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.187 0.195 . . . . 0.0 110.493 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.84 -48.09 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 0.0 110.144 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.34 -152.26 8.19 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -55.51 97.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 70.52 26.3 4.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.542 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.614 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 4.2 m-85 -120.47 132.5 55.24 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 10' ' ' HIS . 23.2 mt -110.92 143.38 41.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.516 0.675 . . . . 0.0 110.978 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -93.39 114.91 27.44 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -126.62 167.93 15.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.763 0.792 . . . . 0.0 111.945 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.463 177.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.455 ' HD1' ' O ' ' A' ' 5' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 121.479 0.656 . . . . 0.0 111.69 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.8 t -82.41 151.03 26.78 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.74 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -151.7 125.45 9.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.07 0.462 . . . . 0.0 110.995 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 12.5 ptmm? -76.89 134.95 38.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.56 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.18 -64.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.112 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 p80 179.3 164.47 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.573 0.349 . . . . 0.0 110.494 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.97 169.03 4.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.893 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 24.0 tptp -83.26 145.08 29.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.06 92.19 0.05 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.17 -25.83 2.34 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.949 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.2 m-20 -76.32 -176.73 3.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.13 0.491 . . . . 0.0 110.67 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -133.06 131.95 41.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.81 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.35 140.9 16.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 5.0 mmp_? -120.41 -37.48 3.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.712 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.63 -149.86 7.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.8 p -135.21 148.67 49.72 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.209 0.203 . . . . 0.0 110.462 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 m -100.55 -48.97 4.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.081 0.467 . . . . 0.0 111.056 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.98 -146.15 4.82 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -53.61 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 70.32 29.12 3.68 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.283 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 3.1 m-85 -114.37 132.11 56.32 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.7 mp -115.23 143.75 44.77 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.093 0.473 . . . . 0.0 110.434 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -90.87 113.1 25.2 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 m -124.26 171.52 9.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.363 0.601 . . . . 0.0 110.831 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.54 179.38 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 N--CA 1.441 -0.913 0 CA-C-O 121.484 0.659 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.5 t -78.02 140.69 39.16 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.257 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -149.99 130.43 13.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.179 0.514 . . . . 0.0 110.871 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.83 141.65 46.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.578 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.67 -70.07 3.24 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.767 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -169.34 169.7 8.92 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 122.546 0.338 . . . . 0.0 110.453 -179.409 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 6.7 m -64.72 162.54 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.848 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 18.8 ttpp -76.77 155.49 33.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -59.78 109.74 1.0 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -23.4 8.24 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.755 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -76.34 175.18 9.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.438 0.637 . . . . 0.0 110.549 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -142.06 121.09 12.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.097 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 9.6 p -64.67 143.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.426 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 17' ' ' VAL . 48.8 mmt-85 -112.45 -36.98 5.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.987 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.02 -161.53 25.87 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.171 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -95.49 149.23 21.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.711 0.291 . . . . 0.0 110.976 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -106.21 -46.9 3.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.405 0.622 . . . . 0.0 109.811 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.0 -158.6 16.47 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.435 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.79 101.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 70.1 31.15 3.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.875 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -130.13 136.49 49.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD22 ' HD2' ' A' ' 10' ' ' HIS . 6.7 mp -119.98 150.22 40.88 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.256 0.55 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -99.4 114.36 27.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.92 162.52 31.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.392 0.615 . . . . 0.0 112.353 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.243 177.248 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' H3 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 2' ' ' LEU . 3.6 mm? -67.81 -38.82 83.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.095 0.474 . . . . 0.0 110.188 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -71.1 123.66 22.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.6 m -95.41 154.44 17.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.688 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -133.51 165.22 25.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.818 0.818 . . . . 0.0 111.807 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.98 141.7 28.41 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.419 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -151.18 133.29 15.22 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.197 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.1 ptmt -72.53 148.16 45.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 -65.78 4.0 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.83 177.58 0.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 122.726 0.41 . . . . 0.0 110.364 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 m -64.01 167.41 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.79 0.682 . . . . 0.0 111.377 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttmm -70.44 155.56 40.53 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -69.83 76.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.433 0.635 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.69 -13.63 1.55 Allowed Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.731 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' OD1' ' HA ' ' A' ' 30' ' ' PRO . 77.1 m-20 -72.0 -173.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.492 0.663 . . . . 0.0 112.037 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -124.46 122.07 36.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.092 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.76 139.77 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.419 0.628 . . . . 0.0 112.091 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -109.67 -43.8 3.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.246 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.82 -150.56 14.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.95 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -94.28 150.76 19.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.657 0.265 . . . . 0.0 110.938 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -111.45 -48.15 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.235 0.54 . . . . 0.0 110.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.01 -157.16 11.87 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.47 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.422 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 20.2 mt -62.74 103.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 110.377 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 67.33 27.38 8.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.695 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 6.8 m-85 -126.62 138.85 53.49 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.9 mp -117.73 150.99 38.17 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.104 0.478 . . . . 0.0 110.292 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -98.39 119.19 36.65 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -141.71 166.55 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 111.313 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.73 131.86 24.12 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.817 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.499 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 19.1 Cg_endo -58.83 138.74 87.41 Favored 'Trans proline' 0 C--O 1.24 0.589 0 C-N-CA 123.488 2.792 . . . . 0.0 113.53 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -56.97 -58.41 8.3 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.47 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' C ' ' H3 ' ' A' ' 1' ' ' GLY . 43.1 tpt85 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.19 -0.91 . . . . 0.0 109.907 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.539 ' H3 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.9 tp -177.73 -49.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.208 0.527 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.813 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.0 pt? -74.38 147.86 41.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 95.6 m -131.08 148.31 52.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -158.42 177.51 11.17 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.658 0.742 . . . . 0.0 111.772 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 40.6 t -100.87 145.71 28.25 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -150.84 132.12 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.615 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 81.5 tttt -73.76 142.93 46.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.129 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 -64.15 3.8 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -179.68 0.91 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.604 0.361 . . . . 0.0 110.154 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' SG ' HG23 ' A' ' 17' ' ' VAL . 8.2 m -76.66 168.78 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.047 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.518 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 76.5 mttt -76.25 162.79 27.64 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -74.2 71.31 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.76 0.791 . . . . 0.0 109.515 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.06 -19.45 0.15 Allowed Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.915 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.653 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.29 -175.95 4.94 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.671 ' HG2' ' HB2' ' A' ' 31' ' ' ARG . 27.8 mmm180 -134.55 131.69 38.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.179 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.538 HG23 ' SG ' ' A' ' 11' ' ' CYS . 6.2 t -72.09 135.35 28.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.631 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mmm-85 -112.27 -39.7 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.6 -155.98 22.1 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.323 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.3 p -96.03 150.81 20.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.632 0.253 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.6 t -114.58 -50.49 2.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.005 0.431 . . . . 0.0 110.786 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.09 -152.39 7.98 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.72 85.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.407 0.622 . . . . 0.0 112.007 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 72.88 31.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.591 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.449 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 14.4 m-85 -119.55 138.43 53.2 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.47 148.78 41.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.271 0.558 . . . . 0.0 111.232 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 4' ' ' CYS . 12.0 t80 -92.06 118.2 30.57 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 m -135.62 167.98 20.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 112.289 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.631 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 12.4 m -145.15 127.02 7.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.732 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 12.0 Cg_endo -57.39 133.49 57.43 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.662 2.242 . . . . 0.0 112.609 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.671 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -76.47 -38.15 55.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' C ' ' H3 ' ' A' ' 1' ' ' GLY . 72.0 mtp180 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.745 -0.645 . . . . 0.0 110.153 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' H1 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.9 tp -167.02 -52.6 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.065 0.433 . . . . 0.0 111.543 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.6 tp -119.66 138.56 53.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.495 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.66 155.42 19.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.047 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -160.88 155.88 24.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.353 0.596 . . . . 0.0 111.279 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 39.0 t -84.74 153.43 23.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.77 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 110.988 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 51.4 mtpt -69.81 140.96 53.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.86 -64.29 4.24 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 113.736 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p80 179.3 174.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.741 0.305 . . . . 0.0 111.044 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.4 m -65.19 169.67 5.37 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.408 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 9.5 mtmp? -91.33 168.19 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -71.8 78.02 0.86 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.749 0.785 . . . . 0.0 110.269 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.17 -21.08 0.35 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.59 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.66 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 2.3 m-20 -89.46 176.11 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.306 -0.447 . . . . 0.0 110.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 16' ' ' ARG . 2.2 ptm85 -137.73 137.5 38.37 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 18' ' ' ARG . 11.9 p -69.16 143.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.642 0.734 . . . . 0.0 112.19 -178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 42.2 mmm-85 -120.1 -37.77 3.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.549 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.6 -152.17 10.76 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.915 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 11.6 p -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -100.71 -46.7 5.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.294 0.569 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.31 -155.21 10.06 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.156 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -57.89 95.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 55.9 mtm-85 75.25 29.36 0.93 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.987 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.569 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 1.4 m-85 -127.7 131.45 49.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -116.8 145.08 43.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.325 0.583 . . . . 0.0 110.768 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -92.34 122.13 34.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -133.54 170.92 14.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.708 0.766 . . . . 0.0 112.101 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 61.1 m -141.62 123.32 9.03 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.461 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.656 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 18.0 Cg_endo -63.73 131.32 30.85 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.089 1.86 . . . . 0.0 112.389 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -41.66 14.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' C ' ' H1 ' ' A' ' 1' ' ' GLY . 79.8 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.129 -0.938 . . . . 0.0 109.561 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 2' ' ' LEU . 4.0 mm? -64.04 -38.83 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.65 136.3 9.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.707 0.289 . . . . 0.0 110.701 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.1 m -88.65 159.34 17.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.813 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -157.37 162.56 39.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.76 0.79 . . . . 0.0 112.024 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 33.2 t -92.16 144.78 25.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.137 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -151.55 134.11 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 110.846 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 82.4 tttt -74.48 140.31 44.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.622 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.07 -64.97 2.63 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.273 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -179.22 168.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.647 ' SG ' HG22 ' A' ' 17' ' ' VAL . 10.4 m -67.28 169.1 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.445 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 55.0 mttp -70.38 157.49 37.68 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -71.14 74.24 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.53 -17.72 0.42 Allowed Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.236 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -78.61 -168.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.783 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -137.99 134.97 35.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.271 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.647 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.9 t -74.72 137.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.311 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 9.9 mmt85 -109.95 -41.16 4.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.73 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.38 -154.96 20.35 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.231 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 p -93.46 153.67 18.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.678 0.275 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.6 t -120.08 -49.64 2.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.044 0.449 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.02 -152.66 8.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.825 HD13 ' H ' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -60.55 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.492 0.663 . . . . 0.0 111.839 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 73.64 28.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.083 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 15.1 m-85 -115.4 136.62 52.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 26' ' ' LEU . 6.5 mp -115.57 144.97 43.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.086 0.47 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -90.33 120.44 31.47 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -131.31 169.32 16.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.62 0.724 . . . . 0.0 112.266 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.546 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m -139.22 127.41 13.51 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.634 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 32' ' ' ARG . 33.0 Cg_endo -67.05 137.32 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.459 2.106 . . . . 0.0 112.87 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -87.51 35.86 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.94 0.876 . . . . 0.0 109.829 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 30' ' ' PRO . 6.1 ptp85 . . . . . 0 C--O 1.255 1.345 0 CA-C-N 114.051 -1.431 . . . . 0.0 108.29 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.74 -31.62 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 3' ' ' LEU . 7.1 mp -67.94 132.63 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.2 m -141.43 144.75 34.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.091 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.7 -176.36 5.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.697 0.761 . . . . 0.0 112.109 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.5 t -102.18 145.28 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.112 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 51.6 ttm-85 -150.68 128.54 11.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 0.0 110.128 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.2 ptmt -74.06 144.67 44.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.225 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.97 -74.41 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.123 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -158.82 162.54 37.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.652 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.9 m -68.31 163.95 21.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.404 0.44 . . . . 0.0 110.625 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 2.6 pttt -76.09 160.93 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.624 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.4 tpm_? -73.87 66.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 122.258 1.028 . . . . 0.0 109.414 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.559 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 174.6 -24.57 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.067 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.898 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 42.3 m-20 -78.08 165.04 24.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -124.5 125.32 44.04 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.76 136.11 26.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.286 0.565 . . . . 0.0 111.989 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 40.5 mmm-85 -118.39 -39.69 3.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.642 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.89 -154.99 19.87 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.962 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 p -94.93 150.34 20.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.513 0.197 . . . . 0.0 110.857 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 t -109.56 -49.51 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.283 0.563 . . . . 0.0 110.088 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.31 -156.5 12.5 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.783 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.54 96.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.267 0.556 . . . . 0.0 111.632 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 72.31 29.66 2.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.996 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 9.1 m-85 -128.76 139.91 51.98 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.0 mt -115.06 151.43 34.27 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.556 0.693 . . . . 0.0 111.436 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -97.59 117.73 32.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.414 -1.266 . . . . 0.0 107.806 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.66 160.92 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.311 0.577 . . . . 0.0 111.722 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.0 m -125.38 111.95 25.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.066 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.898 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 Cg_endo -67.65 137.28 41.83 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.841 2.361 . . . . 0.0 113.762 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -80.51 -34.78 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 . . . . . 0 C--O 1.243 0.736 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.435 178.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.541 HD12 ' H ' ' A' ' 2' ' ' LEU . 7.0 mp -63.05 -45.13 93.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.055 0.455 . . . . 0.0 110.545 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.4 tp -158.19 45.47 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.8 0.809 . . . . 0.0 109.231 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 72.0 m -89.06 141.69 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.629 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.26 170.32 9.71 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.473 0.654 . . . . 0.0 110.697 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.3 t -93.79 137.39 33.08 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.535 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -151.14 128.78 11.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -76.74 147.73 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.49 -179.385 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.72 -64.13 4.16 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.414 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -169.49 168.66 9.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.55 0.34 . . . . 0.0 110.433 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.408 ' SG ' ' HB ' ' A' ' 17' ' ' VAL . 13.6 m -68.37 171.72 6.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.456 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.623 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.0 tmmm? -68.34 158.51 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.548 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 23.7 tpp180 -52.82 107.26 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.293 0.568 . . . . 0.0 112.101 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . 82.57 19.07 64.68 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 114.291 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.623 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 10.8 m-20 -71.6 -170.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.72 0.76 . . . . 0.0 111.909 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -125.24 98.56 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.544 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 18' ' ' ARG . 7.2 p -66.02 137.53 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.268 0.556 . . . . 0.0 110.999 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.3 mmp_? -115.17 -36.48 4.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.004 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.07 -159.73 23.75 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.328 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -96.39 149.65 21.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.664 0.268 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.4 -47.75 3.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.278 0.561 . . . . 0.0 109.95 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.86 -156.07 11.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.884 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -62.12 93.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 74.36 27.1 1.48 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 7.0 m-85 -123.5 137.69 54.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -113.5 153.0 29.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.619 0.723 . . . . 0.0 111.597 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 31.9 t80 -105.05 108.93 20.71 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.863 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.9 155.25 47.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.168 0.508 . . . . 0.0 111.938 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 m -99.9 128.3 31.38 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.134 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' CG ' ' A' ' 15' ' ' ASP . 18.7 Cg_endo -61.13 134.71 54.16 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.91 2.407 . . . . 0.0 113.275 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 29.8 ttm180 -64.41 -50.11 68.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.519 -1.219 . . . . 0.0 107.93 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.83 -30.56 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.11 116.31 9.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.75 157.82 17.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.533 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -154.28 159.28 41.18 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.891 0.853 . . . . 0.0 112.026 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.1 t -89.11 141.53 28.42 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.979 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -151.41 134.23 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 111.273 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 7.4 ttpm? -77.12 138.05 39.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -63.82 1.7 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.132 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.562 ' HD2' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -176.49 174.9 1.84 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.603 ' SG ' HG23 ' A' ' 17' ' ' VAL . 7.2 m -75.36 168.06 20.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.664 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HE3' ' HB3' ' A' ' 12' ' ' LYS . 15.7 mmmt -83.37 162.18 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -63.9 109.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 -18.25 9.59 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.598 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 1.032 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 8.2 m-20 -79.45 173.27 12.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.101 0.477 . . . . 0.0 109.984 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HD2' ' HB2' ' A' ' 31' ' ' ARG . 71.0 mtp180 -134.52 126.66 29.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 11' ' ' CYS . 11.6 t -64.38 136.83 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.952 0.406 . . . . 0.0 111.001 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.646 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 4.2 mmp_? -118.37 -39.67 3.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.05 -159.44 23.26 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.554 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -95.74 151.56 19.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.727 0.298 . . . . 0.0 110.996 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.1 t -114.82 -48.37 2.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.213 0.53 . . . . 0.0 110.44 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.77 -154.21 9.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.049 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.62 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 111.53 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 26.8 mmm180 74.06 23.3 2.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.192 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 12.0 m-85 -116.02 137.38 52.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD23 ' HD2' ' A' ' 10' ' ' HIS . 5.9 mp -117.98 146.52 43.95 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.913 0.387 . . . . 0.0 110.299 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -94.05 120.86 34.88 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.79 161.11 32.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.72 0.771 . . . . 0.0 112.189 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.62 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 80.6 m -129.73 114.29 17.88 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 114.163 -1.38 . . . . 0.0 107.356 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 1.032 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 14.1 Cg_exo -68.87 127.14 14.85 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.452 2.101 . . . . 0.0 113.744 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HB2' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 176.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.45 178.154 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.68 -122.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.575 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 7.3 mp -67.35 112.97 4.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 78.0 m -146.92 173.09 12.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.508 ' CD2' ' HD3' ' A' ' 30' ' ' PRO . 32.1 p90 -162.02 155.29 20.72 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.285 0.564 . . . . 0.0 111.059 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.7 t -90.83 143.44 26.72 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -146.87 147.12 30.5 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.267 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -95.74 129.06 43.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.237 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -59.66 1.6 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.168 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.2 p80 179.93 161.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.794 0.331 . . . . 0.0 111.446 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 m -62.75 171.39 2.11 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.935 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' HB2' ' CG ' ' A' ' 15' ' ' ASP . 48.9 mtmt -66.06 159.08 26.8 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -61.42 104.72 0.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.1 15.25 45.63 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 12' ' ' LYS . 1.2 m-20 -85.19 -164.0 0.93 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.678 0.739 . . . . 0.0 110.659 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.95 121.71 39.58 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.314 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 t -82.93 137.83 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.704 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -116.79 -38.52 3.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.62 0.248 . . . . 0.0 111.135 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.95 11.58 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.906 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 p -96.89 150.28 20.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.314 0.246 . . . . 0.0 111.045 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -114.86 -45.53 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.789 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.8 -157.19 12.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.427 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 28.1 mm -64.58 103.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.061 0.458 . . . . 0.0 109.967 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 68.78 22.77 7.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.579 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.448 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 10.2 m-85 -119.73 138.44 53.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.2 mp -115.65 147.7 40.52 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -90.9 116.9 29.07 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.5 m -127.19 171.84 11.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.638 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 60.9 m -141.31 126.31 10.74 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 74.5 Cg_endo -78.9 138.99 15.12 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.728 2.285 . . . . 0.0 113.643 -178.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.632 ' HG3' ' HD2' ' A' ' 32' ' ' ARG . 14.8 ptm180 -106.21 -10.26 16.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.465 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.632 ' HD2' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 CA-C-N 113.329 -1.759 . . . . 0.0 107.502 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.747 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.0 pt? -79.68 147.31 32.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.241 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' N ' HD21 ' A' ' 3' ' ' LEU . 2.2 pt? -151.88 45.36 0.76 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.849 0.833 . . . . 0.0 109.984 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.8 m -89.12 150.55 22.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -159.01 161.3 36.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.07 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.651 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 27.7 t -90.36 151.44 21.45 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -151.8 131.68 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.0 110.618 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.6 pttp -76.02 141.21 42.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.224 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -59.28 2.51 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.771 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HD2' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -179.48 176.77 0.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.018 0.527 . . . . 0.0 109.996 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 27.3 m -69.81 168.13 15.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.516 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -81.56 153.8 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -59.03 101.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.295 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.95 -17.55 6.74 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.724 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.645 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 21.2 m-20 -84.55 176.16 8.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 110.638 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -135.99 134.99 39.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 18' ' ' ARG . 8.7 p -67.85 141.15 18.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.823 0.82 . . . . 0.0 112.884 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 34.3 mmm-85 -115.22 -38.96 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.643 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.53 -150.9 9.99 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -128.82 149.25 50.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.98 -47.88 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 110.906 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.02 -149.5 6.14 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.589 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 23' ' ' ILE . 12.4 pt -53.3 91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 69.87 25.67 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.064 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.651 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 5.5 m-85 -117.22 133.58 55.82 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD23 ' HD2' ' A' ' 10' ' ' HIS . 5.8 mp -116.88 143.78 45.29 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.313 0.578 . . . . 0.0 110.746 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.89 121.55 32.11 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 m -135.88 170.97 15.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.599 0.714 . . . . 0.0 112.055 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.545 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 26.3 m -144.8 131.33 9.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.659 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.645 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 31.9 Cg_exo -59.45 137.63 79.2 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.577 2.185 . . . . 0.0 112.108 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -116.91 -41.37 3.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.098 179.354 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 2' ' ' LEU . 96.5 mt -78.14 144.89 36.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.595 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -75.62 136.77 40.47 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.228 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 93.0 m -142.25 145.97 34.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.157 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.45 167.32 25.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.771 0.796 . . . . 0.0 111.701 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.88 150.48 24.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.167 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' A' ' 7' ' ' ARG . 16.1 tpt85 -148.17 150.15 33.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -92.6 138.71 31.27 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.13 -178.703 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.73 -57.8 4.76 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.57 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 179.84 170.74 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m -63.79 167.49 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.603 0.565 . . . . 0.0 111.155 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 8.1 mtmp? -103.65 174.61 5.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.045 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.7 116.95 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.46 -26.57 12.95 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.041 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.796 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 64.8 m-20 -76.29 170.95 15.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.75 0.786 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -136.53 128.37 29.2 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.512 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 t -65.07 136.76 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.141 0.496 . . . . 0.0 111.419 -178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.729 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 30.9 mmm-85 -119.09 -39.81 2.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.987 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.11 -155.03 16.06 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.507 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -98.85 149.84 22.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.722 0.296 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 t -110.07 -48.19 3.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.66 -151.53 8.02 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.647 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 23' ' ' ILE . 10.8 pt -61.2 95.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 111.339 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 66.8 26.07 9.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.499 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 7.4 m-30 -113.73 136.2 53.11 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 26' ' ' LEU . 7.9 mp -114.03 148.05 37.66 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.338 0.589 . . . . 0.0 111.141 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -97.25 115.01 26.83 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -130.53 166.67 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 112.076 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.729 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 37.3 m -138.13 119.54 10.48 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.589 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.796 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 33.5 Cg_endo -65.29 140.2 63.28 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.216 2.611 . . . . 0.0 113.324 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -103.77 -61.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.992 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HD3' ' OXT' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.928 -1.034 . . . . 0.0 108.849 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' H2 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -136.77 134.41 37.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -176.57 157.14 1.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.274 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.4 m -150.32 144.17 25.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.48 ' HE2' ' HG3' ' A' ' 30' ' ' PRO . 21.9 p90 -159.94 152.91 21.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.625 0.726 . . . . 0.0 111.792 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -94.49 134.88 36.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.852 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -152.9 143.28 22.55 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.299 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 20.7 ptmt -75.45 148.52 39.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.794 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.46 -82.01 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.59 174.51 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.426 0.29 . . . . 0.0 110.71 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.519 ' SG ' HG21 ' A' ' 17' ' ' VAL . 34.9 m -67.75 169.33 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.004 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 87.9 tttt -82.09 144.61 30.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -55.94 105.82 0.22 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.373 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.39 -15.13 10.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.589 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 60.2 m-20 -79.8 -178.09 6.24 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.265 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -126.33 130.09 50.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.04 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG21 ' SG ' ' A' ' 11' ' ' CYS . 5.3 t -72.39 135.67 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.393 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -105.08 -43.94 4.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.62 -153.77 23.4 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.998 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -93.22 152.85 18.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.743 0.306 . . . . 0.0 110.812 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.7 t -117.02 -48.88 2.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.014 0.435 . . . . 0.0 110.734 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.22 -153.31 8.33 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.578 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.32 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.264 0.554 . . . . 0.0 111.907 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 75.12 24.84 1.41 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.834 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.9 m-85 -118.65 138.66 52.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.15 147.92 45.56 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.065 0.459 . . . . 0.0 110.006 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -93.53 123.24 36.71 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.9 m -134.16 169.35 17.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 61.0 m -144.21 120.18 6.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.48 ' HG3' ' HE2' ' A' ' 5' ' ' TYR . 6.4 Cg_exo -73.79 132.16 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.0 2.466 . . . . 0.0 112.073 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -87.49 -24.72 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 110.188 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 1.3 mpp_? . . . . . 0 C--O 1.244 0.766 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.653 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.499 HD11 ' N ' ' A' ' 3' ' ' LEU . 3.0 tm? -167.09 147.11 5.46 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' N ' HD11 ' A' ' 2' ' ' LEU . 2.4 pt? -157.94 145.05 18.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.449 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.2 m -141.05 153.68 45.61 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.32 158.39 34.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.752 0.787 . . . . 0.0 111.889 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.5 145.19 35.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.314 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.44 136.67 17.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.2 pttm -89.72 144.69 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.25 -53.93 4.65 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.238 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -177.3 172.56 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.639 0.375 . . . . 0.0 110.546 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 58.6 m -69.11 168.33 14.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.572 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.2 ttpm? -80.38 163.78 23.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.78 123.24 16.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 89.3 5.13 73.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.617 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.627 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -92.23 -175.8 4.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.568 0.684 . . . . 0.0 111.334 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.605 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 39.3 ttm180 -151.81 128.18 10.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.112 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 18' ' ' ARG . 7.1 p -66.33 139.15 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.706 0.765 . . . . 0.0 111.958 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.612 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -118.35 -32.94 4.5 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.569 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.91 -168.51 33.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.149 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -97.72 150.91 20.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.462 0.172 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.3 t -113.36 -47.39 3.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.019 0.438 . . . . 0.0 110.627 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.13 -153.43 9.85 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.177 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 pt -62.26 91.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HA ' ' HD2' ' A' ' 24' ' ' ARG . 10.9 tpt180 72.54 27.8 2.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.323 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 3.9 m-85 -118.45 136.26 53.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -121.87 150.12 42.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.622 0.725 . . . . 0.0 111.214 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -95.86 110.47 22.64 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -124.57 168.38 13.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.229 0.538 . . . . 0.0 112.044 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.592 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m -138.9 130.36 15.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.941 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 49.6 Cg_endo -72.78 140.98 33.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.805 2.337 . . . . 0.0 113.055 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.605 ' HD2' ' HB2' ' A' ' 16' ' ' ARG . 3.8 mtp180 -100.16 -44.16 6.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.094 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 2' ' ' LEU . 3.3 mm? -78.18 147.76 34.35 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 38.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.877 0.846 . . . . 0.0 110.218 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m -89.83 155.89 18.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.462 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -151.91 155.31 37.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.751 0.786 . . . . 0.0 111.808 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.581 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 48.3 t -82.54 140.15 33.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.727 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.15 130.63 15.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 45.8 tttp -71.42 140.62 50.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.01 -86.94 1.4 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.028 -0.605 . . . . 0.0 112.882 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -160.54 160.06 31.41 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.658 0.383 . . . . 0.0 110.177 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 3.2 m -61.52 163.0 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.95 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HZ1' ' HB2' ' A' ' 12' ' ' LYS . 9.5 mtmp? -89.93 164.53 14.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.602 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -63.55 100.4 0.27 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.708 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 32' ' ' ARG . . . 137.5 -30.17 2.62 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 45.0 m-20 -82.56 167.16 18.61 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.509 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 67.1 mtt85 -137.87 124.52 20.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.344 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -70.83 137.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.584 0.707 . . . . 0.0 112.005 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 72.1 mtp180 -122.4 -28.34 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.944 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.04 -148.4 6.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.486 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.0 p -127.62 175.13 8.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.17 -49.58 0.19 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' H ' ' HB2' ' A' ' 25' ' ' PHE . . . -134.25 -168.23 11.71 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.639 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 pt -62.32 93.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.668 0.747 . . . . 0.0 111.629 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 9.5 ttm105 71.58 34.13 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.507 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 18.8 m-85 -118.34 133.64 55.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -110.83 148.85 31.51 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.47 0.652 . . . . 0.0 111.506 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -94.54 111.61 23.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.374 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.8 166.7 16.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.023 0.439 . . . . 0.0 111.472 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.697 ' SG ' ' HD3' ' A' ' 18' ' ' ARG . 10.4 m -135.62 125.73 16.61 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.186 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 48.7 Cg_endo -68.98 151.48 73.49 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.298 2.665 . . . . 0.0 112.819 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 52.9 ttt85 -170.16 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.686 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.541 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 mpp_? . . . . . 0 C--O 1.249 1.048 0 C-N-CA 124.549 1.14 . . . . 0.0 110.114 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.44 145.16 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -161.15 172.56 16.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.235 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' N ' HD22 ' A' ' 3' ' ' LEU . 72.8 m -139.25 158.3 44.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -154.6 162.78 40.98 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 112.049 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.6 t -84.95 144.94 28.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.131 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -150.67 128.57 11.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.905 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.3 pttp -72.03 141.36 49.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.421 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.96 -64.2 4.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.576 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.764 ' HA ' HD11 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 179.11 174.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.705 0.402 . . . . 0.0 110.776 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.6 m -62.84 165.97 6.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.285 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.686 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttpm? -78.3 159.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -67.93 83.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.572 ' O ' ' HB3' ' A' ' 31' ' ' ARG . . . 147.63 -18.83 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.399 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.686 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -74.6 -171.21 1.19 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.783 0.802 . . . . 0.0 112.294 -179.172 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttm-85 -137.79 125.42 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.608 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 18' ' ' ARG . 9.8 p -73.45 142.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.341 0.591 . . . . 0.0 111.718 -178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' HG22 ' A' ' 17' ' ' VAL . 12.1 mmt85 -114.61 -42.74 3.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.909 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.95 -153.13 16.34 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.236 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 p -93.58 150.76 20.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.527 0.203 . . . . 0.0 111.012 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.7 t -113.74 -49.31 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 110.33 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.42 -154.47 9.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.083 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.739 ' H ' HD11 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -60.57 93.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 111.445 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 70.31 27.71 4.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.325 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.6 m-85 -121.66 138.43 54.34 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.764 HD11 ' HA ' ' A' ' 10' ' ' HIS . 73.3 mt -115.5 149.04 38.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -93.15 116.96 29.52 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.061 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -134.12 172.96 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.259 0.552 . . . . 0.0 111.354 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 34.5 m -137.38 130.73 17.2 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.909 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 16.6 Cg_endo -58.74 137.54 80.6 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.765 2.31 . . . . 0.0 112.161 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 65.7 ttp85 -134.5 -33.91 0.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.05 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 117.552 -1.213 . . . . 0.0 108.611 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 tp -70.73 -36.06 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 110.881 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.9 tp -144.32 161.19 39.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.568 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.638 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m -87.26 146.33 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.968 0.413 . . . . 0.0 109.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -113.42 160.61 18.24 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.329 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.9 t -96.85 138.82 33.81 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.904 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -150.89 148.6 28.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.161 0.505 . . . . 0.0 110.766 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.29 142.59 27.61 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.422 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -58.32 4.57 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.871 -0.604 . . . . 0.0 113.536 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.87 -179.61 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.947 0.403 . . . . 0.0 111.707 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' SG ' HG21 ' A' ' 17' ' ' VAL . 25.1 m -73.5 169.64 16.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.226 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 74.2 tttt -68.6 148.06 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -59.97 98.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.597 0.237 . . . . 0.0 110.783 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.55 -14.11 11.88 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.052 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.654 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 59.2 m-20 -73.4 -165.01 0.22 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.264 0.532 . . . . 0.0 111.791 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -136.92 126.27 24.89 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.413 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG21 ' SG ' ' A' ' 11' ' ' CYS . 2.8 t -69.82 143.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.638 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 24.5 mmt180 -120.83 -38.31 2.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.007 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.71 -158.42 22.8 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.288 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 p -99.55 150.01 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.591 0.234 . . . . 0.0 110.767 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.2 t -108.27 -48.28 3.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.448 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.76 -152.7 8.57 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.131 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.43 93.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 111.682 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 69.75 29.85 4.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.058 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 6.2 m-85 -121.54 137.98 54.5 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 26' ' ' LEU . 7.1 mp -115.24 150.88 35.46 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.054 0.454 . . . . 0.0 110.552 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.56 116.23 31.71 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.16 161.07 37.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.264 0.554 . . . . 0.0 111.911 -177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.4 m -113.38 131.71 22.81 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.654 ' HA ' ' CG ' ' A' ' 15' ' ' ASP . 21.3 Cg_exo -64.09 133.4 38.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.349 2.699 . . . . 0.0 113.016 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -91.85 -47.28 7.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.878 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.017 179.519 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' H1 ' ' HB3' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.82 -44.06 8.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.498 HD13 ' N ' ' A' ' 3' ' ' LEU . 7.1 mp -82.44 137.43 34.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.661 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.697 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 82.7 m -89.1 150.95 22.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.613 ' HE2' ' HB3' ' A' ' 30' ' ' PRO . 15.6 p90 -127.6 159.43 34.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.312 0.577 . . . . 0.0 109.944 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.42 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.1 t -82.43 140.37 33.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.801 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -150.2 133.46 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 0.0 111.012 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -72.52 143.2 48.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.828 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.32 -61.44 4.18 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.629 -0.714 . . . . 0.0 114.21 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.58 177.76 2.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.825 0.345 . . . . 0.0 110.743 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' HG23 ' A' ' 17' ' ' VAL . 5.8 m -72.71 167.61 20.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.814 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 15' ' ' ASP . 23.4 tptm -76.14 147.44 38.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.08 96.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . 134.54 -21.87 3.76 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.68 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.446 ' CG ' ' HB3' ' A' ' 12' ' ' LYS . 70.1 m-20 -70.35 179.33 2.5 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.442 0.639 . . . . 0.0 111.011 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' CG ' ' HB2' ' A' ' 29' ' ' CYS . 10.4 ptp85 -125.88 125.36 42.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.822 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.52 HG23 ' SG ' ' A' ' 11' ' ' CYS . 4.3 t -71.19 139.26 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.177 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 4.6 mmp_? -123.13 -40.15 2.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.08 -158.2 20.4 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.763 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 p -99.3 150.29 22.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.598 0.237 . . . . 0.0 110.841 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 42.1 t -107.26 -46.19 3.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.379 0.609 . . . . 0.0 109.957 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.1 -156.67 14.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.67 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.3 pt -63.24 97.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 25.2 mmm180 73.44 24.28 2.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.305 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 1.2 m-85 -121.9 136.15 54.91 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -114.58 153.72 29.59 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.006 0.432 . . . . 0.0 110.579 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -106.71 113.26 26.65 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.63 155.88 47.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 111.208 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.8 m -95.97 129.0 35.25 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.696 178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.613 ' HB3' ' HE2' ' A' ' 5' ' ' TYR . 22.9 Cg_endo -62.4 138.2 69.7 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.211 2.607 . . . . 0.0 113.272 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 2.0 tpm_? -59.45 -72.96 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.385 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HB3' ' H1 ' ' A' ' 1' ' ' GLY . 7.3 tpm_? . . . . . 0 C--O 1.246 0.87 0 CA-C-O 117.622 -1.18 . . . . 0.0 111.079 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.415 ' HG ' ' HD3' ' A' ' 32' ' ' ARG . 3.1 mm? -77.33 148.83 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 3' ' ' LEU . 3.3 mm? -71.66 150.48 44.54 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.575 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.784 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 1.8 m -87.97 152.94 21.68 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -127.6 147.07 50.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.839 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.77 141.05 29.21 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.125 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 63.1 ttt180 -151.35 132.47 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.621 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 8' ' ' LYS . 14.5 ttpp -78.19 62.43 2.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.719 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.59 -109.21 0.26 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.339 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.451 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.1 m80 -148.86 168.97 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 3.5 m -63.98 162.32 14.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HZ2' ' CG ' ' A' ' 15' ' ' ASP . 10.2 mtmp? -82.86 159.47 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -64.43 90.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.02 0.438 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.15 -24.8 2.22 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.55 ' OD1' ' HA ' ' A' ' 30' ' ' PRO . 66.2 m-20 -77.73 176.99 8.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 110.366 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -128.79 132.1 47.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.85 137.26 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.434 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.784 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 48.1 mmm-85 -116.79 -39.45 3.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.74 -155.53 24.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.196 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.0 p -98.39 148.72 23.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.649 0.261 . . . . 0.0 110.575 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -98.72 -48.41 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.343 0.592 . . . . 0.0 109.908 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.17 -156.54 13.13 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.589 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.6 pt -60.9 97.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 111.658 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 71.48 33.21 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -131.53 136.84 48.18 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.3 157.88 17.27 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.028 0.442 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -119.8 116.63 26.28 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.11 161.56 32.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.129 0.49 . . . . 0.0 111.455 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.57 125.11 26.93 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.532 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 36.7 Cg_endo -69.72 137.35 35.35 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.544 2.162 . . . . 0.0 112.244 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -75.78 -49.29 18.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HD3' ' HG ' ' A' ' 2' ' ' LEU . 53.1 mtp85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.321 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.766 HD22 ' H ' ' A' ' 2' ' ' LEU . 1.4 pt? -69.56 -37.12 76.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.956 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.686 ' HG ' ' HG ' ' A' ' 2' ' ' LEU . 2.8 pp -165.21 -170.28 1.86 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.365 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.2 m -144.15 151.36 39.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.514 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -162.33 164.67 27.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.196 0.522 . . . . 0.0 110.75 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.7 t -93.14 149.93 20.88 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.264 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -152.75 129.99 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.244 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 24.3 pttm -77.3 142.88 39.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 111.433 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -61.44 3.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 113.792 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.499 ' HA ' HD13 ' A' ' 26' ' ' LEU . 22.1 p-80 -177.07 161.73 1.93 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.475 0.179 . . . . 0.0 110.779 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.599 ' SG ' HG21 ' A' ' 17' ' ' VAL . 30.4 m -65.64 169.23 6.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.486 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.62 153.23 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 79.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.625 . . . . 0.0 110.269 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.58 -17.46 0.76 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.024 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 2.2 m-20 -79.68 -173.59 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 111.341 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -143.37 132.24 22.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.139 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.599 HG21 ' SG ' ' A' ' 11' ' ' CYS . 10.5 t -69.44 139.34 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.037 0.446 . . . . 0.0 111.646 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HD2' ' C ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -121.2 -36.8 3.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.0 -153.23 10.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.499 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 p -127.92 148.03 50.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.187 0.195 . . . . 0.0 110.493 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.84 -48.09 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 0.0 110.144 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.34 -152.26 8.19 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -55.51 97.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 70.52 26.3 4.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.542 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.614 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 4.2 m-85 -120.47 132.5 55.24 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 10' ' ' HIS . 23.2 mt -110.92 143.38 41.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.516 0.675 . . . . 0.0 110.978 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -93.39 114.91 27.44 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -126.62 167.93 15.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.763 0.792 . . . . 0.0 111.945 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.5 m -138.22 119.03 10.2 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.463 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 34.3 Cg_endo -68.23 135.62 34.88 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.927 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttp-105 -80.48 -35.31 34.96 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 . . . . . 0 C--O 1.243 0.73 0 CA-C-N 114.445 -1.252 . . . . 0.0 107.789 178.334 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 2' ' ' LEU . 95.8 mt -69.09 151.73 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 44.2 tp -71.52 145.5 49.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.212 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -148.59 149.07 30.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.06 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.455 ' HD1' ' O ' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -165.6 157.27 14.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.479 0.656 . . . . 0.0 111.69 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.8 t -82.41 151.03 26.78 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.74 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -151.7 125.45 9.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.07 0.462 . . . . 0.0 110.995 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 12.5 ptmm? -76.89 134.95 38.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.56 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.18 -64.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.112 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 p80 179.3 164.47 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.573 0.349 . . . . 0.0 110.494 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.97 169.03 4.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.893 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 24.0 tptp -83.26 145.08 29.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.06 92.19 0.05 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.17 -25.83 2.34 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.949 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.2 m-20 -76.32 -176.73 3.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.13 0.491 . . . . 0.0 110.67 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -133.06 131.95 41.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.81 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.35 140.9 16.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 5.0 mmp_? -120.41 -37.48 3.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.712 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.63 -149.86 7.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.8 p -135.21 148.67 49.72 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.209 0.203 . . . . 0.0 110.462 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 m -100.55 -48.97 4.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.081 0.467 . . . . 0.0 111.056 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.98 -146.15 4.82 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -53.61 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 70.32 29.12 3.68 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.283 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 3.1 m-85 -114.37 132.11 56.32 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.7 mp -115.23 143.75 44.77 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.093 0.473 . . . . 0.0 110.434 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -90.87 113.1 25.2 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 m -124.26 171.52 9.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.363 0.601 . . . . 0.0 110.831 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.5 m -141.82 128.6 11.31 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.54 179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 37.1 Cg_endo -66.34 167.25 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.888 2.392 . . . . 0.0 111.03 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.45 -18.77 53.47 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.343 178.166 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.913 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.8 tp -76.04 143.65 41.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.066 0.46 . . . . 0.0 110.162 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.5 pt? -96.48 147.85 23.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.591 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 95.6 m -87.91 155.71 19.72 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.75 154.47 42.46 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 121.484 0.659 . . . . 0.0 110.391 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.5 t -78.02 140.69 39.16 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.257 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -149.99 130.43 13.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.179 0.514 . . . . 0.0 110.871 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.83 141.65 46.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.578 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.67 -70.07 3.24 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.767 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HD2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -169.34 169.7 8.92 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 122.546 0.338 . . . . 0.0 110.453 -179.409 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 6.7 m -64.72 162.54 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.848 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 18.8 ttpp -76.77 155.49 33.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -59.78 109.74 1.0 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -23.4 8.24 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.755 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 0.8 OUTLIER -76.34 175.18 9.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.438 0.637 . . . . 0.0 110.549 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -142.06 121.09 12.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.097 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 9.6 p -64.67 143.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.426 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.591 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 48.8 mmt-85 -112.45 -36.98 5.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.987 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.02 -161.53 25.87 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.171 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -95.49 149.23 21.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.711 0.291 . . . . 0.0 110.976 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -106.21 -46.9 3.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.405 0.622 . . . . 0.0 109.811 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.0 -158.6 16.47 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.435 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.79 101.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 70.1 31.15 3.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.875 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -130.13 136.49 49.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD22 ' HD2' ' A' ' 10' ' ' HIS . 6.7 mp -119.98 150.22 40.88 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.256 0.55 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -99.4 114.36 27.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.92 162.52 31.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.392 0.615 . . . . 0.0 112.353 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.02 127.1 26.54 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.243 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.29 144.15 32.64 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.903 2.402 . . . . 0.0 113.058 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -148.67 19.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.566 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.663 -1.161 . . . . 0.0 108.884 179.507 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 121.818 0.818 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.98 141.7 28.41 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.419 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -151.18 133.29 15.22 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.197 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.1 ptmt -72.53 148.16 45.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 -65.78 4.0 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.83 177.58 0.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 122.726 0.41 . . . . 0.0 110.364 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 m -64.01 167.41 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.79 0.682 . . . . 0.0 111.377 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttmm -70.44 155.56 40.53 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -69.83 76.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.433 0.635 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.69 -13.63 1.55 Allowed Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.731 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 77.1 m-20 -72.0 -173.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.492 0.663 . . . . 0.0 112.037 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -124.46 122.07 36.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.092 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.76 139.77 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.419 0.628 . . . . 0.0 112.091 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -109.67 -43.8 3.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.246 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.82 -150.56 14.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.95 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -94.28 150.76 19.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.657 0.265 . . . . 0.0 110.938 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -111.45 -48.15 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.235 0.54 . . . . 0.0 110.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.01 -157.16 11.87 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.47 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 20.2 mt -62.74 103.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 110.377 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 67.33 27.38 8.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.695 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 6.8 m-85 -126.62 138.85 53.49 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.73 150.99 38.17 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.104 0.478 . . . . 0.0 110.292 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -98.39 119.19 36.65 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -141.71 166.55 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 111.313 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.817 179.628 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 121.658 0.742 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 40.6 t -100.87 145.71 28.25 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -150.84 132.12 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.615 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 81.5 tttt -73.76 142.93 46.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.129 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 -64.15 3.8 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -179.68 0.91 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.604 0.361 . . . . 0.0 110.154 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.643 ' SG ' HG22 ' A' ' 17' ' ' VAL . 8.2 m -76.66 168.78 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.047 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 76.5 mttt -76.25 162.79 27.64 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -74.2 71.31 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.76 0.791 . . . . 0.0 109.515 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.06 -19.45 0.15 Allowed Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.915 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -79.29 -175.95 4.94 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -134.55 131.69 38.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.179 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.643 HG22 ' SG ' ' A' ' 11' ' ' CYS . 6.2 t -72.09 135.35 28.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.65 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mmm-85 -112.27 -39.7 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.6 -155.98 22.1 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.323 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.3 p -96.03 150.81 20.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.632 0.253 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.6 t -114.58 -50.49 2.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.005 0.431 . . . . 0.0 110.786 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.09 -152.39 7.98 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.72 85.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.407 0.622 . . . . 0.0 112.007 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 72.88 31.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.591 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 14.4 m-85 -119.55 138.43 53.2 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.47 148.78 41.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.271 0.558 . . . . 0.0 111.232 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -92.06 118.2 30.57 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 m -135.62 167.98 20.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 112.289 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.65 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 12.4 m . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.732 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 121.353 0.596 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 39.0 t -84.74 153.43 23.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.77 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 110.988 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 51.4 mtpt -69.81 140.96 53.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.86 -64.29 4.24 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 113.736 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p80 179.3 174.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.741 0.305 . . . . 0.0 111.044 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.4 m -65.19 169.67 5.37 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.408 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 9.5 mtmp? -91.33 168.19 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -71.8 78.02 0.86 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.749 0.785 . . . . 0.0 110.269 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.17 -21.08 0.35 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.59 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.67 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 2.3 m-20 -89.46 176.11 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.306 -0.447 . . . . 0.0 110.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 16' ' ' ARG . 2.2 ptm85 -137.73 137.5 38.37 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -69.16 143.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.642 0.734 . . . . 0.0 112.19 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.651 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 42.2 mmm-85 -120.1 -37.77 3.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.549 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.6 -152.17 10.76 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.915 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 11.6 p -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -100.71 -46.7 5.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.294 0.569 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.31 -155.21 10.06 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.156 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -57.89 95.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 55.9 mtm-85 75.25 29.36 0.93 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.987 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 1.4 m-85 -127.7 131.45 49.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -116.8 145.08 43.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.325 0.583 . . . . 0.0 110.768 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -92.34 122.13 34.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -133.54 170.92 14.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.708 0.766 . . . . 0.0 112.101 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.651 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 61.1 m . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.461 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.4 p90 . . . . . 0 N--CA 1.448 -0.531 0 CA-C-O 121.76 0.79 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 33.2 t -92.16 144.78 25.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.137 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -151.55 134.11 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 110.846 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 82.4 tttt -74.48 140.31 44.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.622 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.07 -64.97 2.63 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.273 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -179.22 168.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.604 ' SG ' HG22 ' A' ' 17' ' ' VAL . 10.4 m -67.28 169.1 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.445 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.549 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 55.0 mttp -70.38 157.49 37.68 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -71.14 74.24 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.53 -17.72 0.42 Allowed Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.236 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.549 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -78.61 -168.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.783 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -137.99 134.97 35.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.271 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.604 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.9 t -74.72 137.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.311 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.57 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 9.9 mmt85 -109.95 -41.16 4.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.73 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.38 -154.96 20.35 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.231 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 p -93.46 153.67 18.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.678 0.275 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.6 t -120.08 -49.64 2.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.044 0.449 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.02 -152.66 8.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.859 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -60.55 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.492 0.663 . . . . 0.0 111.839 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 73.64 28.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.083 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 15.1 m-85 -115.4 136.62 52.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.57 144.97 43.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.086 0.47 . . . . 0.0 110.514 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -90.33 120.44 31.47 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -131.31 169.32 16.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.62 0.724 . . . . 0.0 112.266 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.634 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 121.697 0.761 . . . . 0.0 112.109 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.5 t -102.18 145.28 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.112 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.63 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 51.6 ttm-85 -150.68 128.54 11.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 0.0 110.128 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.2 ptmt -74.06 144.67 44.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.225 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.97 -74.41 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.123 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.616 ' HA ' HD12 ' A' ' 26' ' ' LEU . 59.7 m-70 -158.82 162.54 37.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.709 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.9 m -68.31 163.95 21.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.404 0.44 . . . . 0.0 110.625 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 2.6 pttt -76.09 160.93 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.4 tpm_? -73.87 66.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 122.258 1.028 . . . . 0.0 109.414 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.6 -24.57 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.067 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.709 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 42.3 m-20 -78.08 165.04 24.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -124.5 125.32 44.04 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.574 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.2 t -62.76 136.11 26.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.286 0.565 . . . . 0.0 111.989 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.587 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 40.5 mmm-85 -118.39 -39.69 3.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.642 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.89 -154.99 19.87 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.962 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 p -94.93 150.34 20.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.513 0.197 . . . . 0.0 110.857 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 t -109.56 -49.51 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.283 0.563 . . . . 0.0 110.088 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.31 -156.5 12.5 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.783 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.54 96.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.267 0.556 . . . . 0.0 111.632 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 72.31 29.66 2.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.996 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 9.1 m-85 -128.76 139.91 51.98 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 10' ' ' HIS . 70.0 mt -115.06 151.43 34.27 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.556 0.693 . . . . 0.0 111.436 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -97.59 117.73 32.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.414 -1.266 . . . . 0.0 107.806 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.66 160.92 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.311 0.577 . . . . 0.0 111.722 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.587 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.0 m . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.066 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.473 0.654 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.3 t -93.79 137.39 33.08 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.535 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -151.14 128.78 11.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.74 147.73 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.49 -179.385 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.72 -64.13 4.16 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.414 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.507 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -169.49 168.66 9.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.55 0.34 . . . . 0.0 110.433 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' ' 17' ' ' VAL . 13.6 m -68.37 171.72 6.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.456 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.63 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.0 tmmm? -68.34 158.51 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 23.7 tpp180 -52.82 107.26 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.293 0.568 . . . . 0.0 112.101 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.57 19.07 64.68 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 114.291 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 10.8 m-20 -71.6 -170.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.72 0.76 . . . . 0.0 111.909 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -125.24 98.56 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.544 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -66.02 137.53 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.268 0.556 . . . . 0.0 110.999 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.3 mmp_? -115.17 -36.48 4.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.004 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.07 -159.73 23.75 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.328 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -96.39 149.65 21.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.664 0.268 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.4 -47.75 3.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.278 0.561 . . . . 0.0 109.95 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.86 -156.07 11.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.884 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -62.12 93.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 74.36 27.1 1.48 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 7.0 m-85 -123.5 137.69 54.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 10' ' ' HIS . 54.1 mt -113.5 153.0 29.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.619 0.723 . . . . 0.0 111.597 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -105.05 108.93 20.71 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.863 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.9 155.25 47.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.168 0.508 . . . . 0.0 111.938 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.134 177.541 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 121.891 0.853 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.1 t -89.11 141.53 28.42 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.979 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -151.41 134.23 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 111.273 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 7.4 ttpm? -77.12 138.05 39.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -63.82 1.7 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.132 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.49 174.9 1.84 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.2 m -75.36 168.06 20.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.664 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 15.7 mmmt -83.37 162.18 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -63.9 109.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 -18.25 9.59 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.598 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.626 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 8.2 m-20 -79.45 173.27 12.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.101 0.477 . . . . 0.0 109.984 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -134.52 126.66 29.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.58 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.6 t -64.38 136.83 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.952 0.406 . . . . 0.0 111.001 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.664 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.2 mmp_? -118.37 -39.67 3.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.05 -159.44 23.26 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.554 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -95.74 151.56 19.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.727 0.298 . . . . 0.0 110.996 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.1 t -114.82 -48.37 2.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.213 0.53 . . . . 0.0 110.44 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.77 -154.21 9.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.049 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.62 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 111.53 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 26.8 mmm180 74.06 23.3 2.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.192 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.587 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 12.0 m-85 -116.02 137.38 52.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.98 146.52 43.95 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.913 0.387 . . . . 0.0 110.299 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -94.05 120.86 34.88 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.79 161.11 32.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.72 0.771 . . . . 0.0 112.189 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.638 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 80.6 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.163 -1.38 . . . . 0.0 107.356 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 121.285 0.564 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.7 t -90.83 143.44 26.72 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -146.87 147.12 30.5 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.267 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -95.74 129.06 43.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.237 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -59.66 1.6 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.168 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.2 p80 179.93 161.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.794 0.331 . . . . 0.0 111.446 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' SG ' HG22 ' A' ' 17' ' ' VAL . 16.7 m -62.75 171.39 2.11 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.935 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 48.9 mtmt -66.06 159.08 26.8 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -61.42 104.72 0.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.1 15.25 45.63 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.2 m-20 -85.19 -164.0 0.93 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.678 0.739 . . . . 0.0 110.659 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.95 121.71 39.58 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.314 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.589 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -82.93 137.83 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.704 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -116.79 -38.52 3.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.62 0.248 . . . . 0.0 111.135 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.95 11.58 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.906 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 p -96.89 150.28 20.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.314 0.246 . . . . 0.0 111.045 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 53.4 t -114.86 -45.53 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.789 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.8 -157.19 12.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.427 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 28.1 mm -64.58 103.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.061 0.458 . . . . 0.0 109.967 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 68.78 22.77 7.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.579 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.45 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 10.2 m-85 -119.73 138.44 53.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.65 147.7 40.52 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -90.9 116.9 29.07 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.5 m -127.19 171.84 11.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.318 -0.763 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.337 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.8 p90 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 27.7 t -90.36 151.44 21.45 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -151.8 131.68 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.0 110.618 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.6 pttp -76.02 141.21 42.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.224 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -59.28 2.51 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.771 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.48 176.77 0.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.018 0.527 . . . . 0.0 109.996 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 27.3 m -69.81 168.13 15.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.516 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -81.56 153.8 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -59.03 101.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.295 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.95 -17.55 6.74 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.724 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 21.2 m-20 -84.55 176.16 8.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 110.638 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -135.99 134.99 39.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.85 141.15 18.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.823 0.82 . . . . 0.0 112.884 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 34.3 mmm-85 -115.22 -38.96 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.643 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.53 -150.9 9.99 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -128.82 149.25 50.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.98 -47.88 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 110.906 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.02 -149.5 6.14 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.589 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 pt -53.3 91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 69.87 25.67 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.064 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.671 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 5.5 m-85 -117.22 133.58 55.82 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.8 mp -116.88 143.78 45.29 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.313 0.578 . . . . 0.0 110.746 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.89 121.55 32.11 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 m -135.88 170.97 15.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.599 0.714 . . . . 0.0 112.055 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.565 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 26.3 m . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.659 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.771 0.796 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.88 150.48 24.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.167 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.503 HH11 ' HG3' ' A' ' 7' ' ' ARG . 16.1 tpt85 -148.17 150.15 33.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -92.6 138.71 31.27 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.13 -178.703 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.73 -57.8 4.76 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.57 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 179.84 170.74 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m -63.79 167.49 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.603 0.565 . . . . 0.0 111.155 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 8.1 mtmp? -103.65 174.61 5.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.045 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.7 116.95 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.46 -26.57 12.95 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.041 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.658 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 64.8 m-20 -76.29 170.95 15.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.75 0.786 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -136.53 128.37 29.2 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.512 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.645 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.4 t -65.07 136.76 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.141 0.496 . . . . 0.0 111.419 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.748 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 30.9 mmm-85 -119.09 -39.81 2.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.987 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.11 -155.03 16.06 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.507 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -98.85 149.84 22.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.722 0.296 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 t -110.07 -48.19 3.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . -172.66 -151.53 8.02 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.647 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 pt -61.2 95.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 111.339 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 66.8 26.07 9.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 7.4 m-30 -113.73 136.2 53.11 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.03 148.05 37.66 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.338 0.589 . . . . 0.0 111.141 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -97.25 115.01 26.83 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -130.53 166.67 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 112.076 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.748 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 37.3 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.589 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.9 p90 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.625 0.726 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -94.49 134.88 36.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.852 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -152.9 143.28 22.55 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.299 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 20.7 ptmt -75.45 148.52 39.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.794 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.46 -82.01 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.59 174.51 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.426 0.29 . . . . 0.0 110.71 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' HG22 ' A' ' 17' ' ' VAL . 34.9 m -67.75 169.33 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.004 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 87.9 tttt -82.09 144.61 30.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -55.94 105.82 0.22 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.373 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.39 -15.13 10.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.589 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 60.2 m-20 -79.8 -178.09 6.24 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.265 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -126.33 130.09 50.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.04 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.623 HG22 ' SG ' ' A' ' 11' ' ' CYS . 5.3 t -72.39 135.67 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.393 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -105.08 -43.94 4.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.62 -153.77 23.4 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.998 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -93.22 152.85 18.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.743 0.306 . . . . 0.0 110.812 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.7 t -117.02 -48.88 2.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.014 0.435 . . . . 0.0 110.734 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.22 -153.31 8.33 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.578 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.32 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.264 0.554 . . . . 0.0 111.907 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 75.12 24.84 1.41 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.834 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.656 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.9 m-85 -118.65 138.66 52.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.15 147.92 45.56 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.065 0.459 . . . . 0.0 110.006 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -93.53 123.24 36.71 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.9 m -134.16 169.35 17.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.399 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.752 0.787 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.5 145.19 35.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.314 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.44 136.67 17.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.2 pttm -89.72 144.69 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.25 -53.93 4.65 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.238 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -177.3 172.56 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.639 0.375 . . . . 0.0 110.546 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 58.6 m -69.11 168.33 14.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.577 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.2 ttpm? -80.38 163.78 23.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.78 123.24 16.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 5.13 73.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.617 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -92.23 -175.8 4.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.568 0.684 . . . . 0.0 111.334 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -151.81 128.18 10.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.112 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.33 139.15 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.706 0.765 . . . . 0.0 111.958 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -118.35 -32.94 4.5 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.569 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.91 -168.51 33.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.149 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -97.72 150.91 20.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.462 0.172 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 46.3 t -113.36 -47.39 3.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.019 0.438 . . . . 0.0 110.627 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.13 -153.43 9.85 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.177 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 pt -62.26 91.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 10.9 tpt180 72.54 27.8 2.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.323 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 3.9 m-85 -118.45 136.26 53.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -121.87 150.12 42.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.622 0.725 . . . . 0.0 111.214 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -95.86 110.47 22.64 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -124.57 168.38 13.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.229 0.538 . . . . 0.0 112.044 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.609 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.941 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 N--CA 1.446 -0.668 0 CA-C-O 121.751 0.786 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 48.3 t -82.54 140.15 33.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.727 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.15 130.63 15.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 45.8 tttp -71.42 140.62 50.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.01 -86.94 1.4 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.028 -0.605 . . . . 0.0 112.882 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -160.54 160.06 31.41 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.658 0.383 . . . . 0.0 110.177 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.73 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 3.2 m -61.52 163.0 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.95 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 9.5 mtmp? -89.93 164.53 14.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -63.55 100.4 0.27 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.708 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.5 -30.17 2.62 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.73 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 45.0 m-20 -82.56 167.16 18.61 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -137.87 124.52 20.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.344 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.517 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -70.83 137.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.584 0.707 . . . . 0.0 112.005 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 72.1 mtp180 -122.4 -28.34 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.944 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.04 -148.4 6.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.486 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.0 p -127.62 175.13 8.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -147.17 -49.58 0.19 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.568 ' H ' ' HB2' ' A' ' 25' ' ' PHE . . . -134.25 -168.23 11.71 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.639 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 pt -62.32 93.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.668 0.747 . . . . 0.0 111.629 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.497 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 9.5 ttm105 71.58 34.13 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.507 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 18.8 m-85 -118.34 133.64 55.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -110.83 148.85 31.51 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.47 0.652 . . . . 0.0 111.506 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -94.54 111.61 23.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.374 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.8 166.7 16.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.023 0.439 . . . . 0.0 111.472 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.716 ' SG ' ' HD3' ' A' ' 18' ' ' ARG . 10.4 m . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.186 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.6 t -84.95 144.94 28.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.131 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -150.67 128.57 11.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.905 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.3 pttp -72.03 141.36 49.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.421 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.96 -64.2 4.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.576 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.769 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 179.11 174.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.705 0.402 . . . . 0.0 110.776 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.6 m -62.84 165.97 6.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.285 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.697 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttpm? -78.3 159.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -67.93 83.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.63 -18.83 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.399 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.697 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -74.6 -171.21 1.19 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.783 0.802 . . . . 0.0 112.294 -179.172 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttm-85 -137.79 125.42 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.608 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.45 142.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.341 0.591 . . . . 0.0 111.718 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 12.1 mmt85 -114.61 -42.74 3.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.909 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.95 -153.13 16.34 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.236 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.416 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.1 p -93.58 150.76 20.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.527 0.203 . . . . 0.0 111.012 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.7 t -113.74 -49.31 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 110.33 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.42 -154.47 9.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.083 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.843 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -60.57 93.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 111.445 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 70.31 27.71 4.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.325 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.6 m-85 -121.66 138.43 54.34 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 10' ' ' HIS . 73.3 mt -115.5 149.04 38.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -93.15 116.96 29.52 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.061 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -134.12 172.96 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.259 0.552 . . . . 0.0 111.354 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 34.5 m . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.909 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.44 -0.937 0 CA-C-O 121.276 0.56 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.9 t -96.85 138.82 33.81 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.904 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -150.89 148.6 28.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.161 0.505 . . . . 0.0 110.766 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.29 142.59 27.61 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.422 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -58.32 4.57 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.871 -0.604 . . . . 0.0 113.536 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.87 -179.61 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.947 0.403 . . . . 0.0 111.707 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.726 ' SG ' HG22 ' A' ' 17' ' ' VAL . 25.1 m -73.5 169.64 16.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.226 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.54 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 74.2 tttt -68.6 148.06 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -59.97 98.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.597 0.237 . . . . 0.0 110.783 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.55 -14.11 11.88 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.052 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 59.2 m-20 -73.4 -165.01 0.22 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.264 0.532 . . . . 0.0 111.791 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -136.92 126.27 24.89 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.413 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.726 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.8 t -69.82 143.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -120.83 -38.31 2.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.71 -158.42 22.8 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.288 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 p -99.55 150.01 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.591 0.234 . . . . 0.0 110.767 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.2 t -108.27 -48.28 3.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.448 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.76 -152.7 8.57 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.131 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.43 93.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 111.682 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 69.75 29.85 4.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.058 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 6.2 m-85 -121.54 137.98 54.5 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mp -115.24 150.88 35.46 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.054 0.454 . . . . 0.0 110.552 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.56 116.23 31.71 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.16 161.07 37.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.264 0.554 . . . . 0.0 111.911 -177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 177.808 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.6 p90 . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 121.312 0.577 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.1 t -82.43 140.37 33.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.801 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -150.2 133.46 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 0.0 111.012 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -72.52 143.2 48.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.828 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.32 -61.44 4.18 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.629 -0.714 . . . . 0.0 114.21 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.58 177.76 2.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.825 0.345 . . . . 0.0 110.743 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.722 ' SG ' HG22 ' A' ' 17' ' ' VAL . 5.8 m -72.71 167.61 20.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.814 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 23.4 tptm -76.14 147.44 38.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.08 96.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.54 -21.87 3.76 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.68 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 70.1 m-20 -70.35 179.33 2.5 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.442 0.639 . . . . 0.0 111.011 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' CG ' ' HB2' ' A' ' 29' ' ' CYS . 10.4 ptp85 -125.88 125.36 42.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.822 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.722 HG22 ' SG ' ' A' ' 11' ' ' CYS . 4.3 t -71.19 139.26 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.177 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.619 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.6 mmp_? -123.13 -40.15 2.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.08 -158.2 20.4 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.763 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 p -99.3 150.29 22.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.598 0.237 . . . . 0.0 110.841 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 42.1 t -107.26 -46.19 3.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.379 0.609 . . . . 0.0 109.957 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.1 -156.67 14.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.67 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.3 pt -63.24 97.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 25.2 mmm180 73.44 24.28 2.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.305 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 1.2 m-85 -121.9 136.15 54.91 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -114.58 153.72 29.59 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.006 0.432 . . . . 0.0 110.579 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -106.71 113.26 26.65 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.63 155.88 47.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 111.208 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 16' ' ' ARG . 2.8 m . . . . . 0 C--N 1.315 -0.92 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.696 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 121.461 0.648 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.77 141.05 29.21 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.125 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 63.1 ttt180 -151.35 132.47 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.621 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 8' ' ' LYS . 14.5 ttpp -78.19 62.43 2.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.719 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.59 -109.21 0.26 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.339 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.1 m80 -148.86 168.97 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.5 m -63.98 162.32 14.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HZ2' ' CG ' ' A' ' 15' ' ' ASP . 10.2 mtmp? -82.86 159.47 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -64.43 90.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.02 0.438 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.15 -24.8 2.22 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 66.2 m-20 -77.73 176.99 8.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 110.366 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 24.3 mmt85 -128.79 132.1 47.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.8 t -68.85 137.26 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.434 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -116.79 -39.45 3.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.74 -155.53 24.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.196 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.0 p -98.39 148.72 23.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.649 0.261 . . . . 0.0 110.575 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -98.72 -48.41 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.343 0.592 . . . . 0.0 109.908 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.17 -156.54 13.13 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.589 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.6 pt -60.9 97.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 111.658 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 71.48 33.21 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -131.53 136.84 48.18 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.3 157.88 17.27 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.028 0.442 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -119.8 116.63 26.28 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.11 161.56 32.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.129 0.49 . . . . 0.0 111.455 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.316 -0.864 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.532 177.795 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.0 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.196 0.522 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.631 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.7 t -93.14 149.93 20.88 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.264 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -152.75 129.99 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.244 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 24.3 pttm -77.3 142.88 39.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 111.433 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -61.44 3.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 113.792 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.577 ' HA ' HD12 ' A' ' 26' ' ' LEU . 22.1 p-80 -177.07 161.73 1.93 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.475 0.179 . . . . 0.0 110.779 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.627 ' SG ' HG22 ' A' ' 17' ' ' VAL . 30.4 m -65.64 169.23 6.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.486 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.62 153.23 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 79.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.625 . . . . 0.0 110.269 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.58 -17.46 0.76 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.024 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 2.2 m-20 -79.68 -173.59 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 111.341 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -143.37 132.24 22.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.139 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.5 t -69.44 139.34 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.037 0.446 . . . . 0.0 111.646 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HD2' ' C ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -121.2 -36.8 3.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.0 -153.23 10.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.499 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.516 HG22 HD23 ' A' ' 26' ' ' LEU . 19.2 p -127.92 148.03 50.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.187 0.195 . . . . 0.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.84 -48.09 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 0.0 110.144 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.34 -152.26 8.19 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -55.51 97.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 70.52 26.3 4.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.542 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.631 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 4.2 m-85 -120.47 132.5 55.24 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 10' ' ' HIS . 23.2 mt -110.92 143.38 41.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.516 0.675 . . . . 0.0 110.978 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -93.39 114.91 27.44 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -126.62 167.93 15.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.763 0.792 . . . . 0.0 111.945 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.463 177.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.452 ' O ' ' HD1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 121.479 0.656 . . . . 0.0 111.69 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.8 t -82.41 151.03 26.78 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.74 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -151.7 125.45 9.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.07 0.462 . . . . 0.0 110.995 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 12.5 ptmm? -76.89 134.95 38.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.56 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.18 -64.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.112 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 p80 179.3 164.47 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.573 0.349 . . . . 0.0 110.494 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.97 169.03 4.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.893 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 24.0 tptp -83.26 145.08 29.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.06 92.19 0.05 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.17 -25.83 2.34 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.949 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.2 m-20 -76.32 -176.73 3.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.13 0.491 . . . . 0.0 110.67 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -133.06 131.95 41.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.81 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.35 140.9 16.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 5.0 mmp_? -120.41 -37.48 3.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.712 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.63 -149.86 7.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.8 p -135.21 148.67 49.72 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.209 0.203 . . . . 0.0 110.462 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 m -100.55 -48.97 4.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.081 0.467 . . . . 0.0 111.056 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.98 -146.15 4.82 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -53.61 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 70.32 29.12 3.68 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.283 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.539 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 3.1 m-85 -114.37 132.11 56.32 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.7 mp -115.23 143.75 44.77 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.093 0.473 . . . . 0.0 110.434 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -90.87 113.1 25.2 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 m -124.26 171.52 9.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.363 0.601 . . . . 0.0 110.831 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.5 m . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.54 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 N--CA 1.441 -0.913 0 CA-C-O 121.484 0.659 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.5 t -78.02 140.69 39.16 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.257 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -149.99 130.43 13.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.179 0.514 . . . . 0.0 110.871 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.83 141.65 46.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.578 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.67 -70.07 3.24 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.767 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.34 169.7 8.92 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 122.546 0.338 . . . . 0.0 110.453 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 6.7 m -64.72 162.54 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.848 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 18.8 ttpp -76.77 155.49 33.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -59.78 109.74 1.0 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -23.4 8.24 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.755 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.545 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -76.34 175.18 9.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.438 0.637 . . . . 0.0 110.549 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -142.06 121.09 12.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.097 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.489 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 9.6 p -64.67 143.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.426 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.8 mmt-85 -112.45 -36.98 5.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.987 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.02 -161.53 25.87 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.171 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -95.49 149.23 21.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.711 0.291 . . . . 0.0 110.976 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -106.21 -46.9 3.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.405 0.622 . . . . 0.0 109.811 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.0 -158.6 16.47 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.435 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.79 101.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 70.1 31.15 3.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.875 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -130.13 136.49 49.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.98 150.22 40.88 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.256 0.55 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -99.4 114.36 27.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.92 162.52 31.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.392 0.615 . . . . 0.0 112.353 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.243 177.248 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.81 -38.82 83.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.095 0.474 . . . . 0.0 110.188 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -71.1 123.66 22.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.6 m -95.41 154.44 17.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.688 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -133.51 165.22 25.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.818 0.818 . . . . 0.0 111.807 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.98 141.7 28.41 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.419 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -151.18 133.29 15.22 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.197 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.1 ptmt -72.53 148.16 45.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 -65.78 4.0 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.83 177.58 0.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 122.726 0.41 . . . . 0.0 110.364 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 m -64.01 167.41 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.79 0.682 . . . . 0.0 111.377 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttmm -70.44 155.56 40.53 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -69.83 76.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.433 0.635 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.69 -13.63 1.55 Allowed Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.731 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.546 ' OD1' ' HA ' ' A' ' 30' ' ' PRO . 77.1 m-20 -72.0 -173.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.492 0.663 . . . . 0.0 112.037 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -124.46 122.07 36.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.092 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.76 139.77 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.419 0.628 . . . . 0.0 112.091 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -109.67 -43.8 3.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.246 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.82 -150.56 14.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.95 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -94.28 150.76 19.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.657 0.265 . . . . 0.0 110.938 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -111.45 -48.15 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.235 0.54 . . . . 0.0 110.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.01 -157.16 11.87 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.47 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 20.2 mt -62.74 103.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 110.377 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 67.33 27.38 8.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.695 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 6.8 m-85 -126.62 138.85 53.49 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.73 150.99 38.17 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.104 0.478 . . . . 0.0 110.292 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -98.39 119.19 36.65 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -141.71 166.55 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 111.313 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.73 131.86 24.12 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.817 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.546 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 19.1 Cg_endo -58.83 138.74 87.41 Favored 'Trans proline' 0 C--O 1.24 0.589 0 C-N-CA 123.488 2.792 . . . . 0.0 113.53 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -56.97 -58.41 8.3 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.47 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.1 tpt85 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.19 -0.91 . . . . 0.0 109.907 179.242 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.9 tp -177.73 -49.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.208 0.527 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.761 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.0 pt? -74.38 147.86 41.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 95.6 m -131.08 148.31 52.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -158.42 177.51 11.17 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.658 0.742 . . . . 0.0 111.772 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 40.6 t -100.87 145.71 28.25 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -150.84 132.12 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.615 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 81.5 tttt -73.76 142.93 46.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.129 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 -64.15 3.8 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -179.68 0.91 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.604 0.361 . . . . 0.0 110.154 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.643 ' SG ' HG22 ' A' ' 17' ' ' VAL . 8.2 m -76.66 168.78 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.047 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 76.5 mttt -76.25 162.79 27.64 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -74.2 71.31 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.76 0.791 . . . . 0.0 109.515 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.06 -19.45 0.15 Allowed Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.915 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.703 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.29 -175.95 4.94 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.7 ' HG2' ' HB2' ' A' ' 31' ' ' ARG . 27.8 mmm180 -134.55 131.69 38.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.179 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.643 HG22 ' SG ' ' A' ' 11' ' ' CYS . 6.2 t -72.09 135.35 28.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.65 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mmm-85 -112.27 -39.7 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.6 -155.98 22.1 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.323 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.3 p -96.03 150.81 20.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.632 0.253 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.6 t -114.58 -50.49 2.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.005 0.431 . . . . 0.0 110.786 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.09 -152.39 7.98 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.72 85.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.407 0.622 . . . . 0.0 112.007 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 72.88 31.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.591 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 14.4 m-85 -119.55 138.43 53.2 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.47 148.78 41.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.271 0.558 . . . . 0.0 111.232 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 4' ' ' CYS . 12.0 t80 -92.06 118.2 30.57 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 m -135.62 167.98 20.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 112.289 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.65 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 12.4 m -145.15 127.02 7.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.732 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.703 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 12.0 Cg_endo -57.39 133.49 57.43 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.662 2.242 . . . . 0.0 112.609 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.7 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -76.47 -38.15 55.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.745 -0.645 . . . . 0.0 110.153 -179.884 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.9 tp -167.02 -52.6 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.065 0.433 . . . . 0.0 111.543 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.6 tp -119.66 138.56 53.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.495 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.66 155.42 19.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.047 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -160.88 155.88 24.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.353 0.596 . . . . 0.0 111.279 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 39.0 t -84.74 153.43 23.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.77 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 110.988 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 51.4 mtpt -69.81 140.96 53.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.86 -64.29 4.24 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 113.736 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p80 179.3 174.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.741 0.305 . . . . 0.0 111.044 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.4 m -65.19 169.67 5.37 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.408 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 9.5 mtmp? -91.33 168.19 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -71.8 78.02 0.86 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.749 0.785 . . . . 0.0 110.269 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.17 -21.08 0.35 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.59 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.72 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 2.3 m-20 -89.46 176.11 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.306 -0.447 . . . . 0.0 110.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 16' ' ' ARG . 2.2 ptm85 -137.73 137.5 38.37 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -69.16 143.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.642 0.734 . . . . 0.0 112.19 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.651 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 42.2 mmm-85 -120.1 -37.77 3.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.549 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.6 -152.17 10.76 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.915 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 11.6 p -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -100.71 -46.7 5.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.294 0.569 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.31 -155.21 10.06 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.156 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -57.89 95.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 55.9 mtm-85 75.25 29.36 0.93 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.987 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 1.4 m-85 -127.7 131.45 49.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -116.8 145.08 43.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.325 0.583 . . . . 0.0 110.768 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -92.34 122.13 34.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -133.54 170.92 14.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.708 0.766 . . . . 0.0 112.101 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.651 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 61.1 m -141.62 123.32 9.03 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.461 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.72 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 18.0 Cg_endo -63.73 131.32 30.85 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.089 1.86 . . . . 0.0 112.389 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -41.66 14.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.129 -0.938 . . . . 0.0 109.561 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.04 -38.83 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.65 136.3 9.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.707 0.289 . . . . 0.0 110.701 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.1 m -88.65 159.34 17.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.813 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -157.37 162.56 39.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.76 0.79 . . . . 0.0 112.024 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 33.2 t -92.16 144.78 25.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.137 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -151.55 134.11 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 110.846 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 82.4 tttt -74.48 140.31 44.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.622 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.07 -64.97 2.63 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.273 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -179.22 168.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.604 ' SG ' HG22 ' A' ' 17' ' ' VAL . 10.4 m -67.28 169.1 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.445 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.549 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 55.0 mttp -70.38 157.49 37.68 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -71.14 74.24 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.53 -17.72 0.42 Allowed Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.236 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -78.61 -168.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.783 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -137.99 134.97 35.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.271 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.604 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.9 t -74.72 137.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.311 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.57 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 9.9 mmt85 -109.95 -41.16 4.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.73 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.38 -154.96 20.35 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.231 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 p -93.46 153.67 18.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.678 0.275 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.6 t -120.08 -49.64 2.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.044 0.449 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.02 -152.66 8.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.859 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -60.55 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.492 0.663 . . . . 0.0 111.839 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 73.64 28.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.083 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 15.1 m-85 -115.4 136.62 52.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.57 144.97 43.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.086 0.47 . . . . 0.0 110.514 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -90.33 120.44 31.47 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -131.31 169.32 16.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.62 0.724 . . . . 0.0 112.266 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m -139.22 127.41 13.51 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.634 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -67.05 137.32 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.459 2.106 . . . . 0.0 112.87 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -87.51 35.86 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.94 0.876 . . . . 0.0 109.829 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 . . . . . 0 C--O 1.255 1.345 0 CA-C-N 114.051 -1.431 . . . . 0.0 108.29 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.74 -31.62 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 7.1 mp -67.94 132.63 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.2 m -141.43 144.75 34.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.091 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.7 -176.36 5.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.697 0.761 . . . . 0.0 112.109 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.5 t -102.18 145.28 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.112 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.63 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 51.6 ttm-85 -150.68 128.54 11.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 0.0 110.128 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.2 ptmt -74.06 144.67 44.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.225 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.97 -74.41 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.123 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.616 ' HA ' HD12 ' A' ' 26' ' ' LEU . 59.7 m-70 -158.82 162.54 37.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.709 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.9 m -68.31 163.95 21.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.404 0.44 . . . . 0.0 110.625 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 2.6 pttt -76.09 160.93 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.4 tpm_? -73.87 66.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 122.258 1.028 . . . . 0.0 109.414 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.574 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 174.6 -24.57 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.067 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.903 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 42.3 m-20 -78.08 165.04 24.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -124.5 125.32 44.04 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.574 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.2 t -62.76 136.11 26.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.286 0.565 . . . . 0.0 111.989 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 40.5 mmm-85 -118.39 -39.69 3.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.642 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.89 -154.99 19.87 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.962 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 p -94.93 150.34 20.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.513 0.197 . . . . 0.0 110.857 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 t -109.56 -49.51 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.283 0.563 . . . . 0.0 110.088 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.31 -156.5 12.5 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.783 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.54 96.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.267 0.556 . . . . 0.0 111.632 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 72.31 29.66 2.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.996 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 9.1 m-85 -128.76 139.91 51.98 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 10' ' ' HIS . 70.0 mt -115.06 151.43 34.27 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.556 0.693 . . . . 0.0 111.436 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -97.59 117.73 32.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.414 -1.266 . . . . 0.0 107.806 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.66 160.92 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.311 0.577 . . . . 0.0 111.722 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.587 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.0 m -125.38 111.95 25.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.066 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.903 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 Cg_endo -67.65 137.28 41.83 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.841 2.361 . . . . 0.0 113.762 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -80.51 -34.78 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.076 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 . . . . . 0 C--O 1.243 0.736 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.435 178.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.05 -45.13 93.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.055 0.455 . . . . 0.0 110.545 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 29.4 tp -158.19 45.47 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.8 0.809 . . . . 0.0 109.231 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 72.0 m -89.06 141.69 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.629 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.26 170.32 9.71 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.473 0.654 . . . . 0.0 110.697 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.3 t -93.79 137.39 33.08 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.535 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -151.14 128.78 11.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.74 147.73 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.49 -179.385 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.72 -64.13 4.16 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.414 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.507 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -169.49 168.66 9.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.55 0.34 . . . . 0.0 110.433 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' ' 17' ' ' VAL . 13.6 m -68.37 171.72 6.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.456 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.63 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.0 tmmm? -68.34 158.51 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 23.7 tpp180 -52.82 107.26 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.293 0.568 . . . . 0.0 112.101 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . 82.57 19.07 64.68 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 114.291 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 10.8 m-20 -71.6 -170.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.72 0.76 . . . . 0.0 111.909 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -125.24 98.56 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.544 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -66.02 137.53 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.268 0.556 . . . . 0.0 110.999 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.3 mmp_? -115.17 -36.48 4.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.004 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.07 -159.73 23.75 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.328 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -96.39 149.65 21.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.664 0.268 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.4 -47.75 3.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.278 0.561 . . . . 0.0 109.95 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.86 -156.07 11.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.884 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -62.12 93.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 74.36 27.1 1.48 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 7.0 m-85 -123.5 137.69 54.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 10' ' ' HIS . 54.1 mt -113.5 153.0 29.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.619 0.723 . . . . 0.0 111.597 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 31.9 t80 -105.05 108.93 20.71 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.863 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.9 155.25 47.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.168 0.508 . . . . 0.0 111.938 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 m -99.9 128.3 31.38 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.134 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.613 ' HA ' ' CG ' ' A' ' 15' ' ' ASP . 18.7 Cg_endo -61.13 134.71 54.16 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.91 2.407 . . . . 0.0 113.275 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 29.8 ttm180 -64.41 -50.11 68.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.519 -1.219 . . . . 0.0 107.93 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.83 -30.56 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.11 116.31 9.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.75 157.82 17.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.533 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -154.28 159.28 41.18 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.891 0.853 . . . . 0.0 112.026 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.1 t -89.11 141.53 28.42 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.979 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -151.41 134.23 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 111.273 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 7.4 ttpm? -77.12 138.05 39.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -63.82 1.7 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.132 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.49 174.9 1.84 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.2 m -75.36 168.06 20.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.664 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 15.7 mmmt -83.37 162.18 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -63.9 109.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 -18.25 9.59 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.598 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 1.039 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 8.2 m-20 -79.45 173.27 12.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.101 0.477 . . . . 0.0 109.984 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HD2' ' HB2' ' A' ' 31' ' ' ARG . 71.0 mtp180 -134.52 126.66 29.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.58 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.6 t -64.38 136.83 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.952 0.406 . . . . 0.0 111.001 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.664 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.2 mmp_? -118.37 -39.67 3.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.05 -159.44 23.26 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.554 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -95.74 151.56 19.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.727 0.298 . . . . 0.0 110.996 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.1 t -114.82 -48.37 2.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.213 0.53 . . . . 0.0 110.44 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.77 -154.21 9.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.049 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.62 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 111.53 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 26.8 mmm180 74.06 23.3 2.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.192 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.587 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 12.0 m-85 -116.02 137.38 52.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.98 146.52 43.95 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.913 0.387 . . . . 0.0 110.299 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -94.05 120.86 34.88 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.79 161.11 32.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.72 0.771 . . . . 0.0 112.189 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.638 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 80.6 m -129.73 114.29 17.88 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 114.163 -1.38 . . . . 0.0 107.356 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 1.039 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 14.1 Cg_exo -68.87 127.14 14.85 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.452 2.101 . . . . 0.0 113.744 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HB2' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 176.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.45 178.154 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.68 -122.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.587 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 7.3 mp -67.35 112.97 4.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 78.0 m -146.92 173.09 12.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.497 ' CD2' ' HD3' ' A' ' 30' ' ' PRO . 32.1 p90 -162.02 155.29 20.72 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.285 0.564 . . . . 0.0 111.059 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.7 t -90.83 143.44 26.72 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -146.87 147.12 30.5 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.267 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -95.74 129.06 43.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.237 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -59.66 1.6 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.168 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.2 p80 179.93 161.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.794 0.331 . . . . 0.0 111.446 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' SG ' HG22 ' A' ' 17' ' ' VAL . 16.7 m -62.75 171.39 2.11 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.935 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 48.9 mtmt -66.06 159.08 26.8 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -61.42 104.72 0.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.1 15.25 45.63 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.2 m-20 -85.19 -164.0 0.93 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.678 0.739 . . . . 0.0 110.659 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.95 121.71 39.58 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.314 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.589 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -82.93 137.83 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.704 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -116.79 -38.52 3.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.62 0.248 . . . . 0.0 111.135 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.95 11.58 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.906 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 p -96.89 150.28 20.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.314 0.246 . . . . 0.0 111.045 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 53.4 t -114.86 -45.53 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.789 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.8 -157.19 12.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.427 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 28.1 mm -64.58 103.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.061 0.458 . . . . 0.0 109.967 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 68.78 22.77 7.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.579 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.45 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 10.2 m-85 -119.73 138.44 53.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.65 147.7 40.52 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -90.9 116.9 29.07 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.5 m -127.19 171.84 11.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 60.9 m -141.31 126.31 10.74 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 74.5 Cg_endo -78.9 138.99 15.12 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.728 2.285 . . . . 0.0 113.643 -178.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.678 ' HG3' ' HD2' ' A' ' 32' ' ' ARG . 14.8 ptm180 -106.21 -10.26 16.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.465 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.678 ' HD2' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 CA-C-N 113.329 -1.759 . . . . 0.0 107.502 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.0 pt? -79.68 147.31 32.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.241 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.426 ' HG ' ' HD2' ' A' ' 30' ' ' PRO . 2.2 pt? -151.88 45.36 0.76 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.849 0.833 . . . . 0.0 109.984 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.8 m -89.12 150.55 22.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -159.01 161.3 36.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.07 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 27.7 t -90.36 151.44 21.45 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -151.8 131.68 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.0 110.618 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.6 pttp -76.02 141.21 42.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.224 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -59.28 2.51 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.771 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.48 176.77 0.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.018 0.527 . . . . 0.0 109.996 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 27.3 m -69.81 168.13 15.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.516 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -81.56 153.8 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -59.03 101.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.295 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.95 -17.55 6.74 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.724 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.717 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 21.2 m-20 -84.55 176.16 8.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 110.638 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -135.99 134.99 39.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.85 141.15 18.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.823 0.82 . . . . 0.0 112.884 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 34.3 mmm-85 -115.22 -38.96 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.643 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.53 -150.9 9.99 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -128.82 149.25 50.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.98 -47.88 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 110.906 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.02 -149.5 6.14 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.589 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 pt -53.3 91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 69.87 25.67 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.064 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.671 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 5.5 m-85 -117.22 133.58 55.82 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.8 mp -116.88 143.78 45.29 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.313 0.578 . . . . 0.0 110.746 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.89 121.55 32.11 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 m -135.88 170.97 15.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.599 0.714 . . . . 0.0 112.055 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.565 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 26.3 m -144.8 131.33 9.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.659 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.717 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 31.9 Cg_exo -59.45 137.63 79.2 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.577 2.185 . . . . 0.0 112.108 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -116.91 -41.37 3.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.098 179.354 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.14 144.89 36.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.595 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -75.62 136.77 40.47 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.228 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 3' ' ' LEU . 93.0 m -142.25 145.97 34.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.157 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.45 167.32 25.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.771 0.796 . . . . 0.0 111.701 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.88 150.48 24.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.167 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.503 HH11 ' HG3' ' A' ' 7' ' ' ARG . 16.1 tpt85 -148.17 150.15 33.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -92.6 138.71 31.27 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.13 -178.703 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.73 -57.8 4.76 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.57 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 179.84 170.74 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m -63.79 167.49 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.603 0.565 . . . . 0.0 111.155 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 8.1 mtmp? -103.65 174.61 5.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.045 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.7 116.95 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.46 -26.57 12.95 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.041 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.84 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 64.8 m-20 -76.29 170.95 15.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.75 0.786 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -136.53 128.37 29.2 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.512 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.645 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.4 t -65.07 136.76 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.141 0.496 . . . . 0.0 111.419 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.748 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 30.9 mmm-85 -119.09 -39.81 2.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.987 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.11 -155.03 16.06 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.507 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -98.85 149.84 22.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.722 0.296 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 t -110.07 -48.19 3.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . -172.66 -151.53 8.02 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.647 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 pt -61.2 95.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 111.339 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 66.8 26.07 9.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 7.4 m-30 -113.73 136.2 53.11 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.03 148.05 37.66 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.338 0.589 . . . . 0.0 111.141 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 4' ' ' CYS . 12.3 t80 -97.25 115.01 26.83 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -130.53 166.67 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 112.076 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.748 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 37.3 m -138.13 119.54 10.48 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.589 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.84 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 33.5 Cg_endo -65.29 140.2 63.28 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.216 2.611 . . . . 0.0 113.324 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -103.77 -61.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.992 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' OXT' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.928 -1.034 . . . . 0.0 108.849 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' H3 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -136.77 134.41 37.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -176.57 157.14 1.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.274 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 79.4 m -150.32 144.17 25.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.506 ' HE2' ' HG3' ' A' ' 30' ' ' PRO . 21.9 p90 -159.94 152.91 21.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.625 0.726 . . . . 0.0 111.792 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -94.49 134.88 36.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.852 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -152.9 143.28 22.55 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.299 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 20.7 ptmt -75.45 148.52 39.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.794 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.46 -82.01 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.59 174.51 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.426 0.29 . . . . 0.0 110.71 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' HG22 ' A' ' 17' ' ' VAL . 34.9 m -67.75 169.33 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.004 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 87.9 tttt -82.09 144.61 30.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -55.94 105.82 0.22 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.373 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.39 -15.13 10.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.589 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 60.2 m-20 -79.8 -178.09 6.24 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.265 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -126.33 130.09 50.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.04 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.623 HG22 ' SG ' ' A' ' 11' ' ' CYS . 5.3 t -72.39 135.67 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.393 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -105.08 -43.94 4.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.62 -153.77 23.4 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.998 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -93.22 152.85 18.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.743 0.306 . . . . 0.0 110.812 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.7 t -117.02 -48.88 2.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.014 0.435 . . . . 0.0 110.734 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.22 -153.31 8.33 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.578 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.32 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.264 0.554 . . . . 0.0 111.907 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 75.12 24.84 1.41 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.834 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.656 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.9 m-85 -118.65 138.66 52.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.15 147.92 45.56 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.065 0.459 . . . . 0.0 110.006 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -93.53 123.24 36.71 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.9 m -134.16 169.35 17.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 61.0 m -144.21 120.18 6.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.506 ' HG3' ' HE2' ' A' ' 5' ' ' TYR . 6.4 Cg_exo -73.79 132.16 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.0 2.466 . . . . 0.0 112.073 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -87.49 -24.72 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 110.188 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 1.3 mpp_? . . . . . 0 C--O 1.244 0.766 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.653 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 3' ' ' LEU . 3.0 tm? -167.09 147.11 5.46 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.519 ' N ' HD13 ' A' ' 2' ' ' LEU . 2.4 pt? -157.94 145.05 18.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.449 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.2 m -141.05 153.68 45.61 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.32 158.39 34.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.752 0.787 . . . . 0.0 111.889 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.5 145.19 35.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.314 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.44 136.67 17.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.2 pttm -89.72 144.69 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.25 -53.93 4.65 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.238 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -177.3 172.56 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.639 0.375 . . . . 0.0 110.546 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 58.6 m -69.11 168.33 14.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.577 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.2 ttpm? -80.38 163.78 23.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.78 123.24 16.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 89.3 5.13 73.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.617 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.673 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -92.23 -175.8 4.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.568 0.684 . . . . 0.0 111.334 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.642 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 39.3 ttm180 -151.81 128.18 10.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.112 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.33 139.15 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.706 0.765 . . . . 0.0 111.958 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -118.35 -32.94 4.5 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.569 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.91 -168.51 33.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.149 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -97.72 150.91 20.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.462 0.172 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 46.3 t -113.36 -47.39 3.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.019 0.438 . . . . 0.0 110.627 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.13 -153.43 9.85 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.177 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 pt -62.26 91.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 10.9 tpt180 72.54 27.8 2.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.323 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 3.9 m-85 -118.45 136.26 53.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -121.87 150.12 42.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.622 0.725 . . . . 0.0 111.214 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -95.86 110.47 22.64 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -124.57 168.38 13.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.229 0.538 . . . . 0.0 112.044 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.609 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m -138.9 130.36 15.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.941 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.673 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 49.6 Cg_endo -72.78 140.98 33.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.805 2.337 . . . . 0.0 113.055 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.642 ' HD2' ' HB2' ' A' ' 16' ' ' ARG . 3.8 mtp180 -100.16 -44.16 6.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.094 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.18 147.76 34.35 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 38.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.877 0.846 . . . . 0.0 110.218 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m -89.83 155.89 18.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.462 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -151.91 155.31 37.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.751 0.786 . . . . 0.0 111.808 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 48.3 t -82.54 140.15 33.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.727 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.15 130.63 15.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 45.8 tttp -71.42 140.62 50.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.01 -86.94 1.4 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.028 -0.605 . . . . 0.0 112.882 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -160.54 160.06 31.41 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.658 0.383 . . . . 0.0 110.177 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.73 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 3.2 m -61.52 163.0 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.95 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 9.5 mtmp? -89.93 164.53 14.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -63.55 100.4 0.27 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 32' ' ' ARG . . . 137.5 -30.17 2.62 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.73 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 45.0 m-20 -82.56 167.16 18.61 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 67.1 mtt85 -137.87 124.52 20.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.344 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.517 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -70.83 137.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.584 0.707 . . . . 0.0 112.005 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 72.1 mtp180 -122.4 -28.34 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.944 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.04 -148.4 6.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.486 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.0 p -127.62 175.13 8.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -147.17 -49.58 0.19 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.568 ' H ' ' HB2' ' A' ' 25' ' ' PHE . . . -134.25 -168.23 11.71 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.639 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 pt -62.32 93.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.668 0.747 . . . . 0.0 111.629 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.497 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 9.5 ttm105 71.58 34.13 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.507 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 18.8 m-85 -118.34 133.64 55.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -110.83 148.85 31.51 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.47 0.652 . . . . 0.0 111.506 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -94.54 111.61 23.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.374 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.8 166.7 16.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.023 0.439 . . . . 0.0 111.472 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.716 ' SG ' ' HD3' ' A' ' 18' ' ' ARG . 10.4 m -135.62 125.73 16.61 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.186 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 48.7 Cg_endo -68.98 151.48 73.49 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.298 2.665 . . . . 0.0 112.819 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 52.9 ttt85 -170.16 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.686 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.538 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 mpp_? . . . . . 0 C--O 1.249 1.048 0 C-N-CA 124.549 1.14 . . . . 0.0 110.114 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.44 145.16 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.535 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -161.15 172.56 16.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.235 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.8 m -139.25 158.3 44.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -154.6 162.78 40.98 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 112.049 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.6 t -84.95 144.94 28.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.131 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -150.67 128.57 11.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.905 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.3 pttp -72.03 141.36 49.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.421 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.96 -64.2 4.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.576 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.769 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 179.11 174.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.705 0.402 . . . . 0.0 110.776 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.6 m -62.84 165.97 6.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.285 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.697 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttpm? -78.3 159.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -67.93 83.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.573 ' O ' ' HB3' ' A' ' 31' ' ' ARG . . . 147.63 -18.83 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.399 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.697 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -74.6 -171.21 1.19 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.783 0.802 . . . . 0.0 112.294 -179.172 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttm-85 -137.79 125.42 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.608 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.45 142.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.341 0.591 . . . . 0.0 111.718 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 12.1 mmt85 -114.61 -42.74 3.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.909 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.95 -153.13 16.34 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.236 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.416 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.1 p -93.58 150.76 20.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.527 0.203 . . . . 0.0 111.012 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.7 t -113.74 -49.31 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 110.33 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.42 -154.47 9.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.083 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.843 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -60.57 93.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 111.445 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 70.31 27.71 4.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.325 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.6 m-85 -121.66 138.43 54.34 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 10' ' ' HIS . 73.3 mt -115.5 149.04 38.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -93.15 116.96 29.52 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.061 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -134.12 172.96 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.259 0.552 . . . . 0.0 111.354 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 34.5 m -137.38 130.73 17.2 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.909 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.535 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 16.6 Cg_endo -58.74 137.54 80.6 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.765 2.31 . . . . 0.0 112.161 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 65.7 ttp85 -134.5 -33.91 0.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.05 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 117.552 -1.213 . . . . 0.0 108.611 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 tp -70.73 -36.06 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 110.881 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.9 tp -144.32 161.19 39.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.568 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.657 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m -87.26 146.33 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.968 0.413 . . . . 0.0 109.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -113.42 160.61 18.24 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.329 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.9 t -96.85 138.82 33.81 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.904 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -150.89 148.6 28.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.161 0.505 . . . . 0.0 110.766 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.29 142.59 27.61 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.422 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -58.32 4.57 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.871 -0.604 . . . . 0.0 113.536 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.87 -179.61 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.947 0.403 . . . . 0.0 111.707 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.726 ' SG ' HG22 ' A' ' 17' ' ' VAL . 25.1 m -73.5 169.64 16.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.226 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.54 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 74.2 tttt -68.6 148.06 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -59.97 98.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.597 0.237 . . . . 0.0 110.783 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.55 -14.11 11.88 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.052 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.677 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 59.2 m-20 -73.4 -165.01 0.22 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.264 0.532 . . . . 0.0 111.791 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -136.92 126.27 24.89 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.413 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.726 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.8 t -69.82 143.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.657 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 24.5 mmt180 -120.83 -38.31 2.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.007 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.71 -158.42 22.8 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.288 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 p -99.55 150.01 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.591 0.234 . . . . 0.0 110.767 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.2 t -108.27 -48.28 3.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.448 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.76 -152.7 8.57 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.131 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.43 93.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 111.682 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 69.75 29.85 4.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.058 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 6.2 m-85 -121.54 137.98 54.5 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mp -115.24 150.88 35.46 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.054 0.454 . . . . 0.0 110.552 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.56 116.23 31.71 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.16 161.07 37.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.264 0.554 . . . . 0.0 111.911 -177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.4 m -113.38 131.71 22.81 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.677 ' HA ' ' CG ' ' A' ' 15' ' ' ASP . 21.3 Cg_exo -64.09 133.4 38.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.349 2.699 . . . . 0.0 113.016 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -91.85 -47.28 7.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.878 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.017 179.519 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.82 -44.06 8.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.484 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 7.1 mp -82.44 137.43 34.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.661 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.716 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 82.7 m -89.1 150.95 22.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.597 ' HE2' ' HB3' ' A' ' 30' ' ' PRO . 15.6 p90 -127.6 159.43 34.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.312 0.577 . . . . 0.0 109.944 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.1 t -82.43 140.37 33.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.801 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -150.2 133.46 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 0.0 111.012 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -72.52 143.2 48.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.828 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.32 -61.44 4.18 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.629 -0.714 . . . . 0.0 114.21 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.58 177.76 2.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.825 0.345 . . . . 0.0 110.743 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.722 ' SG ' HG22 ' A' ' 17' ' ' VAL . 5.8 m -72.71 167.61 20.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.814 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 23.4 tptm -76.14 147.44 38.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.08 96.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . 134.54 -21.87 3.76 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.68 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' OD1' ' HA ' ' A' ' 30' ' ' PRO . 70.1 m-20 -70.35 179.33 2.5 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.442 0.639 . . . . 0.0 111.011 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' CG ' ' HB2' ' A' ' 29' ' ' CYS . 10.4 ptp85 -125.88 125.36 42.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.822 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.722 HG22 ' SG ' ' A' ' 11' ' ' CYS . 4.3 t -71.19 139.26 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.177 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 4.6 mmp_? -123.13 -40.15 2.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.08 -158.2 20.4 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.763 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 p -99.3 150.29 22.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.598 0.237 . . . . 0.0 110.841 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 42.1 t -107.26 -46.19 3.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.379 0.609 . . . . 0.0 109.957 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.1 -156.67 14.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.67 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.3 pt -63.24 97.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 25.2 mmm180 73.44 24.28 2.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.305 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 1.2 m-85 -121.9 136.15 54.91 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -114.58 153.72 29.59 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.006 0.432 . . . . 0.0 110.579 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -106.71 113.26 26.65 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.63 155.88 47.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 111.208 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.8 m -95.97 129.0 35.25 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.696 178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HB3' ' HE2' ' A' ' 5' ' ' TYR . 22.9 Cg_endo -62.4 138.2 69.7 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.211 2.607 . . . . 0.0 113.272 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 2.0 tpm_? -59.45 -72.96 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.385 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? . . . . . 0 C--O 1.246 0.87 0 CA-C-O 117.622 -1.18 . . . . 0.0 111.079 -179.6 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' HG ' ' HD3' ' A' ' 32' ' ' ARG . 3.1 mm? -77.33 148.83 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 3.3 mm? -71.66 150.48 44.54 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.575 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.802 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 1.8 m -87.97 152.94 21.68 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -127.6 147.07 50.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.839 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.77 141.05 29.21 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.125 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 63.1 ttt180 -151.35 132.47 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.621 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 8' ' ' LYS . 14.5 ttpp -78.19 62.43 2.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.719 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.59 -109.21 0.26 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.339 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.1 m80 -148.86 168.97 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.5 m -63.98 162.32 14.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HZ2' ' CG ' ' A' ' 15' ' ' ASP . 10.2 mtmp? -82.86 159.47 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -64.43 90.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.02 0.438 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.15 -24.8 2.22 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 66.2 m-20 -77.73 176.99 8.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 110.366 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 24.3 mmt85 -128.79 132.1 47.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.8 t -68.85 137.26 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.434 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.802 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 48.1 mmm-85 -116.79 -39.45 3.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.74 -155.53 24.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.196 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.0 p -98.39 148.72 23.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.649 0.261 . . . . 0.0 110.575 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -98.72 -48.41 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.343 0.592 . . . . 0.0 109.908 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.17 -156.54 13.13 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.589 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.6 pt -60.9 97.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 111.658 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 71.48 33.21 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -131.53 136.84 48.18 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.3 157.88 17.27 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.028 0.442 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -119.8 116.63 26.28 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.11 161.56 32.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.129 0.49 . . . . 0.0 111.455 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.57 125.11 26.93 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.532 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 36.7 Cg_endo -69.72 137.35 35.35 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.544 2.162 . . . . 0.0 112.244 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -75.78 -49.29 18.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HG ' ' A' ' 2' ' ' LEU . 53.1 mtp85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.321 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.756 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.4 pt? -69.56 -37.12 76.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.956 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.697 ' HG ' ' HG ' ' A' ' 2' ' ' LEU . 2.8 pp -165.21 -170.28 1.86 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.365 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.2 m -144.15 151.36 39.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.514 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -162.33 164.67 27.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.196 0.522 . . . . 0.0 110.75 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.631 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.7 t -93.14 149.93 20.88 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.264 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -152.75 129.99 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.244 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 24.3 pttm -77.3 142.88 39.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 111.433 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -61.44 3.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 113.792 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.577 ' HA ' HD12 ' A' ' 26' ' ' LEU . 22.1 p-80 -177.07 161.73 1.93 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.475 0.179 . . . . 0.0 110.779 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.627 ' SG ' HG22 ' A' ' 17' ' ' VAL . 30.4 m -65.64 169.23 6.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.486 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.62 153.23 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 79.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.625 . . . . 0.0 110.269 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.58 -17.46 0.76 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.024 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 2.2 m-20 -79.68 -173.59 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 111.341 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -143.37 132.24 22.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.139 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.5 t -69.44 139.34 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.037 0.446 . . . . 0.0 111.646 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HD2' ' C ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -121.2 -36.8 3.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.0 -153.23 10.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.499 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.516 HG22 HD23 ' A' ' 26' ' ' LEU . 19.2 p -127.92 148.03 50.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.187 0.195 . . . . 0.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.84 -48.09 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 0.0 110.144 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.34 -152.26 8.19 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -55.51 97.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 70.52 26.3 4.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.542 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.631 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 4.2 m-85 -120.47 132.5 55.24 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 10' ' ' HIS . 23.2 mt -110.92 143.38 41.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.516 0.675 . . . . 0.0 110.978 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -93.39 114.91 27.44 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -126.62 167.93 15.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.763 0.792 . . . . 0.0 111.945 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.5 m -138.22 119.03 10.2 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.463 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 34.3 Cg_endo -68.23 135.62 34.88 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.927 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttp-105 -80.48 -35.31 34.96 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 . . . . . 0 C--O 1.243 0.73 0 CA-C-N 114.445 -1.252 . . . . 0.0 107.789 178.334 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.09 151.73 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.529 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 44.2 tp -71.52 145.5 49.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.212 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -148.59 149.07 30.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.06 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.452 ' O ' ' HD1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -165.6 157.27 14.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.479 0.656 . . . . 0.0 111.69 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.8 t -82.41 151.03 26.78 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.74 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -151.7 125.45 9.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.07 0.462 . . . . 0.0 110.995 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 12.5 ptmm? -76.89 134.95 38.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.56 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.18 -64.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.112 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 p80 179.3 164.47 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.573 0.349 . . . . 0.0 110.494 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.97 169.03 4.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.893 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 24.0 tptp -83.26 145.08 29.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.06 92.19 0.05 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.17 -25.83 2.34 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.949 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.2 m-20 -76.32 -176.73 3.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.13 0.491 . . . . 0.0 110.67 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -133.06 131.95 41.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.81 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.35 140.9 16.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 5.0 mmp_? -120.41 -37.48 3.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.712 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.63 -149.86 7.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.8 p -135.21 148.67 49.72 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.209 0.203 . . . . 0.0 110.462 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 m -100.55 -48.97 4.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.081 0.467 . . . . 0.0 111.056 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.98 -146.15 4.82 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -53.61 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 70.32 29.12 3.68 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.283 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 3.1 m-85 -114.37 132.11 56.32 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.7 mp -115.23 143.75 44.77 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.093 0.473 . . . . 0.0 110.434 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -90.87 113.1 25.2 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 m -124.26 171.52 9.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.363 0.601 . . . . 0.0 110.831 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.5 m -141.82 128.6 11.31 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.54 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.529 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 37.1 Cg_endo -66.34 167.25 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.888 2.392 . . . . 0.0 111.03 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.45 -18.77 53.47 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.343 178.166 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.913 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.8 tp -76.04 143.65 41.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.066 0.46 . . . . 0.0 110.162 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.768 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? -96.48 147.85 23.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.613 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 95.6 m -87.91 155.71 19.72 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.75 154.47 42.46 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 121.484 0.659 . . . . 0.0 110.391 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.5 t -78.02 140.69 39.16 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.257 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -149.99 130.43 13.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.179 0.514 . . . . 0.0 110.871 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.83 141.65 46.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.578 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.67 -70.07 3.24 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.767 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.34 169.7 8.92 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 122.546 0.338 . . . . 0.0 110.453 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 6.7 m -64.72 162.54 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.848 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 18.8 ttpp -76.77 155.49 33.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -59.78 109.74 1.0 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -23.4 8.24 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.755 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.545 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -76.34 175.18 9.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.438 0.637 . . . . 0.0 110.549 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -142.06 121.09 12.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.097 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.489 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 9.6 p -64.67 143.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.426 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.613 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 48.8 mmt-85 -112.45 -36.98 5.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.987 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.02 -161.53 25.87 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.171 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -95.49 149.23 21.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.711 0.291 . . . . 0.0 110.976 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -106.21 -46.9 3.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.405 0.622 . . . . 0.0 109.811 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.0 -158.6 16.47 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.435 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.79 101.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 70.1 31.15 3.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.875 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -130.13 136.49 49.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.98 150.22 40.88 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.256 0.55 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 4' ' ' CYS . 3.2 t80 -99.4 114.36 27.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.92 162.52 31.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.392 0.615 . . . . 0.0 112.353 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.02 127.1 26.54 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.243 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.29 144.15 32.64 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.903 2.402 . . . . 0.0 113.058 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -148.67 19.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.566 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.663 -1.161 . . . . 0.0 108.884 179.507 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 121.818 0.818 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.98 141.7 28.41 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.419 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -151.18 133.29 15.22 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.197 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.1 ptmt -72.53 148.16 45.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 -65.78 4.0 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.83 177.58 0.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 122.726 0.41 . . . . 0.0 110.364 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 m -64.01 167.41 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.79 0.682 . . . . 0.0 111.377 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttmm -70.44 155.56 40.53 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -69.83 76.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.433 0.635 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.69 -13.63 1.55 Allowed Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.731 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 77.1 m-20 -72.0 -173.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.492 0.663 . . . . 0.0 112.037 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -124.46 122.07 36.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.092 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.76 139.77 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.419 0.628 . . . . 0.0 112.091 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -109.67 -43.8 3.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.246 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.82 -150.56 14.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.95 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -94.28 150.76 19.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.657 0.265 . . . . 0.0 110.938 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -111.45 -48.15 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.235 0.54 . . . . 0.0 110.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.01 -157.16 11.87 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.47 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 20.2 mt -62.74 103.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 110.377 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 67.33 27.38 8.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.695 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 6.8 m-85 -126.62 138.85 53.49 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.73 150.99 38.17 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.104 0.478 . . . . 0.0 110.292 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -98.39 119.19 36.65 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -141.71 166.55 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 111.313 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.817 179.628 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 121.658 0.742 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 40.6 t -100.87 145.71 28.25 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -150.84 132.12 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.615 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 81.5 tttt -73.76 142.93 46.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.129 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 -64.15 3.8 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -179.68 0.91 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.604 0.361 . . . . 0.0 110.154 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.643 ' SG ' HG22 ' A' ' 17' ' ' VAL . 8.2 m -76.66 168.78 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.047 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 76.5 mttt -76.25 162.79 27.64 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -74.2 71.31 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.76 0.791 . . . . 0.0 109.515 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.06 -19.45 0.15 Allowed Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.915 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -79.29 -175.95 4.94 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -134.55 131.69 38.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.179 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.643 HG22 ' SG ' ' A' ' 11' ' ' CYS . 6.2 t -72.09 135.35 28.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.65 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mmm-85 -112.27 -39.7 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.6 -155.98 22.1 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.323 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.3 p -96.03 150.81 20.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.632 0.253 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.6 t -114.58 -50.49 2.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.005 0.431 . . . . 0.0 110.786 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.09 -152.39 7.98 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.72 85.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.407 0.622 . . . . 0.0 112.007 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 72.88 31.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.591 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 14.4 m-85 -119.55 138.43 53.2 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.47 148.78 41.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.271 0.558 . . . . 0.0 111.232 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -92.06 118.2 30.57 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 m -135.62 167.98 20.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 112.289 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.65 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 12.4 m . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.732 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 121.353 0.596 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 39.0 t -84.74 153.43 23.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.77 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 110.988 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 51.4 mtpt -69.81 140.96 53.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.86 -64.29 4.24 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 113.736 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p80 179.3 174.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.741 0.305 . . . . 0.0 111.044 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.4 m -65.19 169.67 5.37 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.408 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 9.5 mtmp? -91.33 168.19 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -71.8 78.02 0.86 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.749 0.785 . . . . 0.0 110.269 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.17 -21.08 0.35 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.59 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.67 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 2.3 m-20 -89.46 176.11 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.306 -0.447 . . . . 0.0 110.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 16' ' ' ARG . 2.2 ptm85 -137.73 137.5 38.37 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -69.16 143.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.642 0.734 . . . . 0.0 112.19 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.651 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 42.2 mmm-85 -120.1 -37.77 3.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.549 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.6 -152.17 10.76 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.915 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 11.6 p -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -100.71 -46.7 5.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.294 0.569 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.31 -155.21 10.06 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.156 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -57.89 95.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 55.9 mtm-85 75.25 29.36 0.93 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.987 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 1.4 m-85 -127.7 131.45 49.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -116.8 145.08 43.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.325 0.583 . . . . 0.0 110.768 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -92.34 122.13 34.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -133.54 170.92 14.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.708 0.766 . . . . 0.0 112.101 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.651 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 61.1 m . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.461 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.4 p90 . . . . . 0 N--CA 1.448 -0.531 0 CA-C-O 121.76 0.79 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 33.2 t -92.16 144.78 25.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.137 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -151.55 134.11 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 110.846 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 82.4 tttt -74.48 140.31 44.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.622 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.07 -64.97 2.63 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.273 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -179.22 168.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.604 ' SG ' HG22 ' A' ' 17' ' ' VAL . 10.4 m -67.28 169.1 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.445 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.549 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 55.0 mttp -70.38 157.49 37.68 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -71.14 74.24 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.53 -17.72 0.42 Allowed Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.236 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.549 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -78.61 -168.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.783 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -137.99 134.97 35.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.271 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.604 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.9 t -74.72 137.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.311 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.57 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 9.9 mmt85 -109.95 -41.16 4.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.73 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.38 -154.96 20.35 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.231 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 p -93.46 153.67 18.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.678 0.275 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.6 t -120.08 -49.64 2.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.044 0.449 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.02 -152.66 8.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.859 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -60.55 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.492 0.663 . . . . 0.0 111.839 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 73.64 28.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.083 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 15.1 m-85 -115.4 136.62 52.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.57 144.97 43.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.086 0.47 . . . . 0.0 110.514 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -90.33 120.44 31.47 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -131.31 169.32 16.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.62 0.724 . . . . 0.0 112.266 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.634 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 121.697 0.761 . . . . 0.0 112.109 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.5 t -102.18 145.28 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.112 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.63 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 51.6 ttm-85 -150.68 128.54 11.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 0.0 110.128 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.2 ptmt -74.06 144.67 44.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.225 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.97 -74.41 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.123 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.616 ' HA ' HD12 ' A' ' 26' ' ' LEU . 59.7 m-70 -158.82 162.54 37.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.709 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.9 m -68.31 163.95 21.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.404 0.44 . . . . 0.0 110.625 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 2.6 pttt -76.09 160.93 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.4 tpm_? -73.87 66.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 122.258 1.028 . . . . 0.0 109.414 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.6 -24.57 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.067 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.709 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 42.3 m-20 -78.08 165.04 24.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -124.5 125.32 44.04 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.574 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.2 t -62.76 136.11 26.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.286 0.565 . . . . 0.0 111.989 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.587 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 40.5 mmm-85 -118.39 -39.69 3.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.642 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.89 -154.99 19.87 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.962 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 p -94.93 150.34 20.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.513 0.197 . . . . 0.0 110.857 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 t -109.56 -49.51 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.283 0.563 . . . . 0.0 110.088 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.31 -156.5 12.5 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.783 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.54 96.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.267 0.556 . . . . 0.0 111.632 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 72.31 29.66 2.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.996 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 9.1 m-85 -128.76 139.91 51.98 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 10' ' ' HIS . 70.0 mt -115.06 151.43 34.27 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.556 0.693 . . . . 0.0 111.436 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -97.59 117.73 32.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.414 -1.266 . . . . 0.0 107.806 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.66 160.92 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.311 0.577 . . . . 0.0 111.722 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.587 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.0 m . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.066 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.473 0.654 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.3 t -93.79 137.39 33.08 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.535 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -151.14 128.78 11.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.74 147.73 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.49 -179.385 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.72 -64.13 4.16 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.414 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.507 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -169.49 168.66 9.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.55 0.34 . . . . 0.0 110.433 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' ' 17' ' ' VAL . 13.6 m -68.37 171.72 6.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.456 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.63 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.0 tmmm? -68.34 158.51 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 23.7 tpp180 -52.82 107.26 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.293 0.568 . . . . 0.0 112.101 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.57 19.07 64.68 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 114.291 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 10.8 m-20 -71.6 -170.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.72 0.76 . . . . 0.0 111.909 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -125.24 98.56 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.544 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -66.02 137.53 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.268 0.556 . . . . 0.0 110.999 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.3 mmp_? -115.17 -36.48 4.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.004 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.07 -159.73 23.75 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.328 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -96.39 149.65 21.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.664 0.268 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.4 -47.75 3.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.278 0.561 . . . . 0.0 109.95 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.86 -156.07 11.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.884 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -62.12 93.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 74.36 27.1 1.48 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 7.0 m-85 -123.5 137.69 54.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 10' ' ' HIS . 54.1 mt -113.5 153.0 29.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.619 0.723 . . . . 0.0 111.597 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -105.05 108.93 20.71 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.863 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.9 155.25 47.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.168 0.508 . . . . 0.0 111.938 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.134 177.541 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 p90 . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 121.891 0.853 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.1 t -89.11 141.53 28.42 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.979 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -151.41 134.23 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 111.273 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 7.4 ttpm? -77.12 138.05 39.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -63.82 1.7 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.132 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.49 174.9 1.84 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.2 m -75.36 168.06 20.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.664 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 15.7 mmmt -83.37 162.18 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -63.9 109.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 -18.25 9.59 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.598 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.626 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 8.2 m-20 -79.45 173.27 12.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.101 0.477 . . . . 0.0 109.984 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -134.52 126.66 29.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.58 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.6 t -64.38 136.83 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.952 0.406 . . . . 0.0 111.001 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.664 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.2 mmp_? -118.37 -39.67 3.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.05 -159.44 23.26 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.554 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -95.74 151.56 19.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.727 0.298 . . . . 0.0 110.996 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.1 t -114.82 -48.37 2.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.213 0.53 . . . . 0.0 110.44 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.77 -154.21 9.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.049 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.62 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 111.53 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 26.8 mmm180 74.06 23.3 2.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.192 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.587 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 12.0 m-85 -116.02 137.38 52.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.98 146.52 43.95 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.913 0.387 . . . . 0.0 110.299 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -94.05 120.86 34.88 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.79 161.11 32.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.72 0.771 . . . . 0.0 112.189 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.638 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 80.6 m . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 114.163 -1.38 . . . . 0.0 107.356 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 121.285 0.564 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.7 t -90.83 143.44 26.72 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -146.87 147.12 30.5 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.267 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -95.74 129.06 43.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.237 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -59.66 1.6 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.168 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.2 p80 179.93 161.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.794 0.331 . . . . 0.0 111.446 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' SG ' HG22 ' A' ' 17' ' ' VAL . 16.7 m -62.75 171.39 2.11 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.935 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 48.9 mtmt -66.06 159.08 26.8 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -61.42 104.72 0.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.1 15.25 45.63 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.2 m-20 -85.19 -164.0 0.93 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.678 0.739 . . . . 0.0 110.659 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.95 121.71 39.58 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.314 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.589 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -82.93 137.83 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.704 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -116.79 -38.52 3.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.62 0.248 . . . . 0.0 111.135 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.95 11.58 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.906 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 p -96.89 150.28 20.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.314 0.246 . . . . 0.0 111.045 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 53.4 t -114.86 -45.53 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.789 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.8 -157.19 12.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.427 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 28.1 mm -64.58 103.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.061 0.458 . . . . 0.0 109.967 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 68.78 22.77 7.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.579 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.45 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 10.2 m-85 -119.73 138.44 53.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.65 147.7 40.52 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -90.9 116.9 29.07 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.5 m -127.19 171.84 11.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.318 -0.763 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.337 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.8 p90 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 27.7 t -90.36 151.44 21.45 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -151.8 131.68 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.0 110.618 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.6 pttp -76.02 141.21 42.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.224 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -59.28 2.51 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.771 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.48 176.77 0.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.018 0.527 . . . . 0.0 109.996 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 27.3 m -69.81 168.13 15.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.516 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -81.56 153.8 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -59.03 101.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.295 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.95 -17.55 6.74 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.724 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.572 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 21.2 m-20 -84.55 176.16 8.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 110.638 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -135.99 134.99 39.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.85 141.15 18.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.823 0.82 . . . . 0.0 112.884 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 34.3 mmm-85 -115.22 -38.96 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.643 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.53 -150.9 9.99 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -128.82 149.25 50.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.98 -47.88 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 110.906 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.02 -149.5 6.14 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.589 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 pt -53.3 91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 69.87 25.67 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.064 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.671 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 5.5 m-85 -117.22 133.58 55.82 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.8 mp -116.88 143.78 45.29 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.313 0.578 . . . . 0.0 110.746 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.89 121.55 32.11 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 m -135.88 170.97 15.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.599 0.714 . . . . 0.0 112.055 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.565 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 26.3 m . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.659 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.771 0.796 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.88 150.48 24.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.167 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.503 HH11 ' HG3' ' A' ' 7' ' ' ARG . 16.1 tpt85 -148.17 150.15 33.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -92.6 138.71 31.27 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.13 -178.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.73 -57.8 4.76 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.57 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 179.84 170.74 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m -63.79 167.49 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.603 0.565 . . . . 0.0 111.155 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 8.1 mtmp? -103.65 174.61 5.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.045 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.7 116.95 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.46 -26.57 12.95 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.041 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.658 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 64.8 m-20 -76.29 170.95 15.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.75 0.786 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -136.53 128.37 29.2 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.512 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.645 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.4 t -65.07 136.76 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.141 0.496 . . . . 0.0 111.419 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.748 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 30.9 mmm-85 -119.09 -39.81 2.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.987 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.11 -155.03 16.06 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.507 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -98.85 149.84 22.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.722 0.296 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 t -110.07 -48.19 3.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . -172.66 -151.53 8.02 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.647 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 pt -61.2 95.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 111.339 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 66.8 26.07 9.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 7.4 m-30 -113.73 136.2 53.11 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.03 148.05 37.66 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.338 0.589 . . . . 0.0 111.141 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -97.25 115.01 26.83 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -130.53 166.67 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 112.076 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.748 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 37.3 m . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.589 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.9 p90 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.625 0.726 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -94.49 134.88 36.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.852 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -152.9 143.28 22.55 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.299 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 20.7 ptmt -75.45 148.52 39.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.794 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.46 -82.01 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.59 174.51 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.426 0.29 . . . . 0.0 110.71 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' HG22 ' A' ' 17' ' ' VAL . 34.9 m -67.75 169.33 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.004 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 87.9 tttt -82.09 144.61 30.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -55.94 105.82 0.22 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.373 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.39 -15.13 10.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.589 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 60.2 m-20 -79.8 -178.09 6.24 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.265 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -126.33 130.09 50.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.04 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.623 HG22 ' SG ' ' A' ' 11' ' ' CYS . 5.3 t -72.39 135.67 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.393 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -105.08 -43.94 4.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.62 -153.77 23.4 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.998 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -93.22 152.85 18.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.743 0.306 . . . . 0.0 110.812 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.7 t -117.02 -48.88 2.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.014 0.435 . . . . 0.0 110.734 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.22 -153.31 8.33 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.578 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.32 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.264 0.554 . . . . 0.0 111.907 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 75.12 24.84 1.41 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.834 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.656 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.9 m-85 -118.65 138.66 52.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.15 147.92 45.56 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.065 0.459 . . . . 0.0 110.006 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -93.53 123.24 36.71 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.9 m -134.16 169.35 17.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.399 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.752 0.787 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.5 145.19 35.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.314 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.44 136.67 17.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.2 pttm -89.72 144.69 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.25 -53.93 4.65 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.238 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -177.3 172.56 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.639 0.375 . . . . 0.0 110.546 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 58.6 m -69.11 168.33 14.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.577 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.2 ttpm? -80.38 163.78 23.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.78 123.24 16.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.3 5.13 73.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.617 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -92.23 -175.8 4.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.568 0.684 . . . . 0.0 111.334 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -151.81 128.18 10.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.112 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.33 139.15 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.706 0.765 . . . . 0.0 111.958 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -118.35 -32.94 4.5 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.569 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.91 -168.51 33.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.149 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -97.72 150.91 20.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.462 0.172 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 46.3 t -113.36 -47.39 3.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.019 0.438 . . . . 0.0 110.627 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.13 -153.43 9.85 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.177 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 pt -62.26 91.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 10.9 tpt180 72.54 27.8 2.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.323 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 3.9 m-85 -118.45 136.26 53.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -121.87 150.12 42.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.622 0.725 . . . . 0.0 111.214 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -95.86 110.47 22.64 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -124.57 168.38 13.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.229 0.538 . . . . 0.0 112.044 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.609 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.941 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 N--CA 1.446 -0.668 0 CA-C-O 121.751 0.786 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 48.3 t -82.54 140.15 33.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.727 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.15 130.63 15.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 45.8 tttp -71.42 140.62 50.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.01 -86.94 1.4 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.028 -0.605 . . . . 0.0 112.882 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -160.54 160.06 31.41 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.658 0.383 . . . . 0.0 110.177 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.73 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 3.2 m -61.52 163.0 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.95 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 9.5 mtmp? -89.93 164.53 14.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -63.55 100.4 0.27 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.5 -30.17 2.62 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.73 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 45.0 m-20 -82.56 167.16 18.61 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -137.87 124.52 20.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.344 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.517 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -70.83 137.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.584 0.707 . . . . 0.0 112.005 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 72.1 mtp180 -122.4 -28.34 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.944 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.04 -148.4 6.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.486 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.0 p -127.62 175.13 8.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -147.17 -49.58 0.19 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.568 ' H ' ' HB2' ' A' ' 25' ' ' PHE . . . -134.25 -168.23 11.71 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.639 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 pt -62.32 93.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.668 0.747 . . . . 0.0 111.629 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.497 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 9.5 ttm105 71.58 34.13 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.507 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 18.8 m-85 -118.34 133.64 55.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -110.83 148.85 31.51 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.47 0.652 . . . . 0.0 111.506 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -94.54 111.61 23.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.374 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.8 166.7 16.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.023 0.439 . . . . 0.0 111.472 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.716 ' SG ' ' HD3' ' A' ' 18' ' ' ARG . 10.4 m . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.186 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.6 t -84.95 144.94 28.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.131 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -150.67 128.57 11.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.905 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.3 pttp -72.03 141.36 49.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.421 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.96 -64.2 4.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.576 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.769 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 179.11 174.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.705 0.402 . . . . 0.0 110.776 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.6 m -62.84 165.97 6.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.285 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.697 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttpm? -78.3 159.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -67.93 83.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 147.63 -18.83 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.399 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.697 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -74.6 -171.21 1.19 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.783 0.802 . . . . 0.0 112.294 -179.172 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttm-85 -137.79 125.42 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.608 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.45 142.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.341 0.591 . . . . 0.0 111.718 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 12.1 mmt85 -114.61 -42.74 3.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.909 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.95 -153.13 16.34 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.236 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.416 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.1 p -93.58 150.76 20.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.527 0.203 . . . . 0.0 111.012 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.7 t -113.74 -49.31 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 110.33 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.42 -154.47 9.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.083 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.843 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -60.57 93.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 111.445 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 70.31 27.71 4.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.325 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.6 m-85 -121.66 138.43 54.34 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 10' ' ' HIS . 73.3 mt -115.5 149.04 38.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -93.15 116.96 29.52 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.061 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -134.12 172.96 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.259 0.552 . . . . 0.0 111.354 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 34.5 m . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.909 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.44 -0.937 0 CA-C-O 121.276 0.56 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.9 t -96.85 138.82 33.81 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.904 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -150.89 148.6 28.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.161 0.505 . . . . 0.0 110.766 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.29 142.59 27.61 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.422 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -58.32 4.57 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.871 -0.604 . . . . 0.0 113.536 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.87 -179.61 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.947 0.403 . . . . 0.0 111.707 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.726 ' SG ' HG22 ' A' ' 17' ' ' VAL . 25.1 m -73.5 169.64 16.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.226 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.54 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 74.2 tttt -68.6 148.06 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -59.97 98.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.597 0.237 . . . . 0.0 110.783 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.55 -14.11 11.88 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.052 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 59.2 m-20 -73.4 -165.01 0.22 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.264 0.532 . . . . 0.0 111.791 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -136.92 126.27 24.89 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.413 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.726 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.8 t -69.82 143.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -120.83 -38.31 2.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.007 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.71 -158.42 22.8 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.288 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 p -99.55 150.01 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.591 0.234 . . . . 0.0 110.767 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.2 t -108.27 -48.28 3.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.448 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.76 -152.7 8.57 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.131 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.43 93.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 111.682 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 69.75 29.85 4.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.058 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 6.2 m-85 -121.54 137.98 54.5 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mp -115.24 150.88 35.46 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.054 0.454 . . . . 0.0 110.552 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.56 116.23 31.71 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.16 161.07 37.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.264 0.554 . . . . 0.0 111.911 -177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 177.808 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.6 p90 . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 121.312 0.577 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.1 t -82.43 140.37 33.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.801 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -150.2 133.46 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 0.0 111.012 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -72.52 143.2 48.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.828 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.32 -61.44 4.18 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.629 -0.714 . . . . 0.0 114.21 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.58 177.76 2.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.825 0.345 . . . . 0.0 110.743 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.722 ' SG ' HG22 ' A' ' 17' ' ' VAL . 5.8 m -72.71 167.61 20.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.814 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 23.4 tptm -76.14 147.44 38.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.08 96.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.54 -21.87 3.76 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.68 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 70.1 m-20 -70.35 179.33 2.5 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.442 0.639 . . . . 0.0 111.011 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' CG ' ' HB2' ' A' ' 29' ' ' CYS . 10.4 ptp85 -125.88 125.36 42.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.822 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.722 HG22 ' SG ' ' A' ' 11' ' ' CYS . 4.3 t -71.19 139.26 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.177 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.619 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.6 mmp_? -123.13 -40.15 2.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.08 -158.2 20.4 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.763 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 p -99.3 150.29 22.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.598 0.237 . . . . 0.0 110.841 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 42.1 t -107.26 -46.19 3.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.379 0.609 . . . . 0.0 109.957 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.1 -156.67 14.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.67 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.3 pt -63.24 97.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 25.2 mmm180 73.44 24.28 2.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.305 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 1.2 m-85 -121.9 136.15 54.91 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -114.58 153.72 29.59 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.006 0.432 . . . . 0.0 110.579 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -106.71 113.26 26.65 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.63 155.88 47.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 111.208 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.422 ' HB2' ' CG ' ' A' ' 16' ' ' ARG . 2.8 m . . . . . 0 C--N 1.315 -0.92 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.696 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 121.461 0.648 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.77 141.05 29.21 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.125 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 63.1 ttt180 -151.35 132.47 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.621 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 8' ' ' LYS . 14.5 ttpp -78.19 62.43 2.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.719 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.59 -109.21 0.26 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.339 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.1 m80 -148.86 168.97 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.5 m -63.98 162.32 14.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HZ2' ' CG ' ' A' ' 15' ' ' ASP . 10.2 mtmp? -82.86 159.47 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -64.43 90.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.02 0.438 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.15 -24.8 2.22 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 66.2 m-20 -77.73 176.99 8.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 110.366 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 24.3 mmt85 -128.79 132.1 47.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.631 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.8 t -68.85 137.26 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.434 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -116.79 -39.45 3.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.74 -155.53 24.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.196 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.0 p -98.39 148.72 23.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.649 0.261 . . . . 0.0 110.575 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -98.72 -48.41 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.343 0.592 . . . . 0.0 109.908 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.17 -156.54 13.13 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.589 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.6 pt -60.9 97.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 111.658 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 71.48 33.21 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -131.53 136.84 48.18 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.3 157.88 17.27 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.028 0.442 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -119.8 116.63 26.28 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.11 161.56 32.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.129 0.49 . . . . 0.0 111.455 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.316 -0.864 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.532 177.795 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.0 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.196 0.522 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.631 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.7 t -93.14 149.93 20.88 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.264 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -152.75 129.99 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.244 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 24.3 pttm -77.3 142.88 39.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 111.433 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -61.44 3.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 113.792 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.577 ' HA ' HD12 ' A' ' 26' ' ' LEU . 22.1 p-80 -177.07 161.73 1.93 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.475 0.179 . . . . 0.0 110.779 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.627 ' SG ' HG22 ' A' ' 17' ' ' VAL . 30.4 m -65.64 169.23 6.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.486 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.62 153.23 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 79.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.625 . . . . 0.0 110.269 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.58 -17.46 0.76 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.024 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 2.2 m-20 -79.68 -173.59 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 111.341 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -143.37 132.24 22.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.139 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.5 t -69.44 139.34 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.037 0.446 . . . . 0.0 111.646 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HD2' ' C ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -121.2 -36.8 3.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.0 -153.23 10.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.499 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.516 HG22 HD23 ' A' ' 26' ' ' LEU . 19.2 p -127.92 148.03 50.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.187 0.195 . . . . 0.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.84 -48.09 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 0.0 110.144 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.34 -152.26 8.19 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -55.51 97.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 70.52 26.3 4.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.542 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.631 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 4.2 m-85 -120.47 132.5 55.24 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 10' ' ' HIS . 23.2 mt -110.92 143.38 41.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.516 0.675 . . . . 0.0 110.978 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -93.39 114.91 27.44 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -126.62 167.93 15.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.763 0.792 . . . . 0.0 111.945 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.463 177.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.452 ' O ' ' HD1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 121.479 0.656 . . . . 0.0 111.69 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.8 t -82.41 151.03 26.78 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.74 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -151.7 125.45 9.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.07 0.462 . . . . 0.0 110.995 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 12.5 ptmm? -76.89 134.95 38.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.56 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.18 -64.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.112 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 p80 179.3 164.47 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.573 0.349 . . . . 0.0 110.494 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.97 169.03 4.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.893 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 24.0 tptp -83.26 145.08 29.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.06 92.19 0.05 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.17 -25.83 2.34 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.949 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.2 m-20 -76.32 -176.73 3.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.13 0.491 . . . . 0.0 110.67 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -133.06 131.95 41.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.81 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.35 140.9 16.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 5.0 mmp_? -120.41 -37.48 3.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.712 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.63 -149.86 7.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.8 p -135.21 148.67 49.72 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.209 0.203 . . . . 0.0 110.462 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 m -100.55 -48.97 4.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.081 0.467 . . . . 0.0 111.056 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.98 -146.15 4.82 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -53.61 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 70.32 29.12 3.68 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.283 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.539 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 3.1 m-85 -114.37 132.11 56.32 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.7 mp -115.23 143.75 44.77 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.093 0.473 . . . . 0.0 110.434 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -90.87 113.1 25.2 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 m -124.26 171.52 9.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.363 0.601 . . . . 0.0 110.831 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.5 m . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.54 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 N--CA 1.441 -0.913 0 CA-C-O 121.484 0.659 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.5 t -78.02 140.69 39.16 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.257 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -149.99 130.43 13.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.179 0.514 . . . . 0.0 110.871 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.83 141.65 46.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.578 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.67 -70.07 3.24 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.767 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.34 169.7 8.92 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 122.546 0.338 . . . . 0.0 110.453 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 6.7 m -64.72 162.54 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.848 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 18.8 ttpp -76.77 155.49 33.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -59.78 109.74 1.0 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -23.4 8.24 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.755 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.545 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -76.34 175.18 9.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.438 0.637 . . . . 0.0 110.549 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -142.06 121.09 12.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.097 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.489 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 9.6 p -64.67 143.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.426 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.8 mmt-85 -112.45 -36.98 5.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.987 178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.02 -161.53 25.87 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.171 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -95.49 149.23 21.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.711 0.291 . . . . 0.0 110.976 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -106.21 -46.9 3.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.405 0.622 . . . . 0.0 109.811 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.0 -158.6 16.47 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.435 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.79 101.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 70.1 31.15 3.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.875 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -130.13 136.49 49.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.98 150.22 40.88 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.256 0.55 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -99.4 114.36 27.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.92 162.52 31.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.392 0.615 . . . . 0.0 112.353 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.243 177.248 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.493 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.81 -38.82 83.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.095 0.474 . . . . 0.0 110.188 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -71.1 123.66 22.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.557 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 33.6 m -95.41 154.44 17.2 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.688 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -133.51 165.22 25.39 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.818 0.818 . . . . 0.0 111.807 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.98 141.7 28.41 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.419 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -151.18 133.29 15.22 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.197 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.1 ptmt -72.53 148.16 45.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.85 -65.78 4.0 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.546 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.83 177.58 0.48 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 122.726 0.41 . . . . 0.0 110.364 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.2 m -64.01 167.41 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.79 0.682 . . . . 0.0 111.377 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttmm -70.44 155.56 40.53 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -69.83 76.32 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.433 0.635 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.69 -13.63 1.55 Allowed Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.731 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.546 ' OD1' ' HA ' ' A' ' 30' ' ' PRO . 77.1 m-20 -72.0 -173.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.492 0.663 . . . . 0.0 112.037 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtt85 -124.46 122.07 36.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.092 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.76 139.77 18.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.419 0.628 . . . . 0.0 112.091 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -109.67 -43.8 3.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.246 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.82 -150.56 14.22 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.95 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -94.28 150.76 19.99 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.657 0.265 . . . . 0.0 110.938 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.2 t -111.45 -48.15 3.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.235 0.54 . . . . 0.0 110.119 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.01 -157.16 11.87 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.47 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 20.2 mt -62.74 103.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 110.377 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 67.33 27.38 8.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.695 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.504 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 6.8 m-85 -126.62 138.85 53.49 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.73 150.99 38.17 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.104 0.478 . . . . 0.0 110.292 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -98.39 119.19 36.65 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -141.71 166.55 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 0.0 111.313 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.3 m -118.73 131.86 24.12 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.817 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.546 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 19.1 Cg_endo -58.83 138.74 87.41 Favored 'Trans proline' 0 C--O 1.24 0.589 0 C-N-CA 123.488 2.792 . . . . 0.0 113.53 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -56.97 -58.41 8.3 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.47 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.1 tpt85 . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.19 -0.91 . . . . 0.0 109.907 179.242 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.9 tp -177.73 -49.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.208 0.527 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.761 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.0 pt? -74.38 147.86 41.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 95.6 m -131.08 148.31 52.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.679 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -158.42 177.51 11.17 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.658 0.742 . . . . 0.0 111.772 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 40.6 t -100.87 145.71 28.25 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.293 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -150.84 132.12 14.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.615 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 81.5 tttt -73.76 142.93 46.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.129 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 -64.15 3.8 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.791 -0.641 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.17 -179.68 0.91 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.604 0.361 . . . . 0.0 110.154 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.643 ' SG ' HG22 ' A' ' 17' ' ' VAL . 8.2 m -76.66 168.78 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.047 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 76.5 mttt -76.25 162.79 27.64 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -74.2 71.31 1.67 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.76 0.791 . . . . 0.0 109.515 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.06 -19.45 0.15 Allowed Glycine 0 N--CA 1.441 -0.969 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.915 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.703 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.29 -175.95 4.94 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.7 ' HG2' ' HB2' ' A' ' 31' ' ' ARG . 27.8 mmm180 -134.55 131.69 38.24 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.179 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.643 HG22 ' SG ' ' A' ' 11' ' ' CYS . 6.2 t -72.09 135.35 28.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.815 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.65 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 41.9 mmm-85 -112.27 -39.7 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.6 -155.98 22.1 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.323 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.3 p -96.03 150.81 20.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.632 0.253 . . . . 0.0 111.082 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.6 t -114.58 -50.49 2.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.005 0.431 . . . . 0.0 110.786 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.09 -152.39 7.98 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -59.72 85.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.407 0.622 . . . . 0.0 112.007 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 72.88 31.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.591 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 14.4 m-85 -119.55 138.43 53.2 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.47 148.78 41.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.271 0.558 . . . . 0.0 111.232 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 4' ' ' CYS . 12.0 t80 -92.06 118.2 30.57 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.1 m -135.62 167.98 20.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 112.289 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.65 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 12.4 m -145.15 127.02 7.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.732 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.703 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 12.0 Cg_endo -57.39 133.49 57.43 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.662 2.242 . . . . 0.0 112.609 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.7 ' HB2' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -76.47 -38.15 55.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.745 -0.645 . . . . 0.0 110.153 -179.884 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.9 tp -167.02 -52.6 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.065 0.433 . . . . 0.0 111.543 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.6 tp -119.66 138.56 53.19 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.495 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -89.66 155.42 19.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.047 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -160.88 155.88 24.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.353 0.596 . . . . 0.0 111.279 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 39.0 t -84.74 153.43 23.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.77 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.084 0.469 . . . . 0.0 110.988 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 51.4 mtpt -69.81 140.96 53.38 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.86 -64.29 4.24 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 113.736 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.5 p80 179.3 174.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.741 0.305 . . . . 0.0 111.044 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.4 m -65.19 169.67 5.37 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.408 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 9.5 mtmp? -91.33 168.19 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -71.8 78.02 0.86 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.749 0.785 . . . . 0.0 110.269 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.17 -21.08 0.35 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.59 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.72 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 2.3 m-20 -89.46 176.11 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.306 -0.447 . . . . 0.0 110.133 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 16' ' ' ARG . 2.2 ptm85 -137.73 137.5 38.37 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -69.16 143.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.642 0.734 . . . . 0.0 112.19 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.651 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 42.2 mmm-85 -120.1 -37.77 3.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.549 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.6 -152.17 10.76 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.915 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 11.6 p -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.492 -0.188 . . . . 0.0 110.492 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -100.71 -46.7 5.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.294 0.569 . . . . 0.0 110.451 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.31 -155.21 10.06 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.156 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -57.89 95.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 55.9 mtm-85 75.25 29.36 0.93 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.987 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 1.4 m-85 -127.7 131.45 49.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -116.8 145.08 43.76 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.325 0.583 . . . . 0.0 110.768 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -92.34 122.13 34.5 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -133.54 170.92 14.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.708 0.766 . . . . 0.0 112.101 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.651 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 61.1 m -141.62 123.32 9.03 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.517 -1.22 . . . . 0.0 108.461 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.72 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 18.0 Cg_endo -63.73 131.32 30.85 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.089 1.86 . . . . 0.0 112.389 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -41.66 14.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.129 -0.938 . . . . 0.0 109.561 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.883 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.04 -38.83 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.9 tp -159.65 136.3 9.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.707 0.289 . . . . 0.0 110.701 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.1 m -88.65 159.34 17.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.813 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -157.37 162.56 39.06 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.76 0.79 . . . . 0.0 112.024 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 33.2 t -92.16 144.78 25.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.137 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -151.55 134.11 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 110.846 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 82.4 tttt -74.48 140.31 44.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.622 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.07 -64.97 2.63 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.989 -0.55 . . . . 0.0 113.273 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -179.22 168.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.745 0.307 . . . . 0.0 110.733 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.604 ' SG ' HG22 ' A' ' 17' ' ' VAL . 10.4 m -67.28 169.1 9.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.445 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.549 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 55.0 mttp -70.38 157.49 37.68 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -71.14 74.24 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.651 0.738 . . . . 0.0 110.308 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.53 -17.72 0.42 Allowed Glycine 0 N--CA 1.441 -0.998 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.236 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -78.61 -168.92 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.783 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -137.99 134.97 35.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.271 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.604 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.9 t -74.72 137.16 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.311 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.57 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 9.9 mmt85 -109.95 -41.16 4.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.73 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.38 -154.96 20.35 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.231 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.0 p -93.46 153.67 18.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.678 0.275 . . . . 0.0 111.071 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.6 t -120.08 -49.64 2.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.044 0.449 . . . . 0.0 110.859 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.02 -152.66 8.12 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.859 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -60.55 85.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.492 0.663 . . . . 0.0 111.839 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 73.64 28.45 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.083 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 15.1 m-85 -115.4 136.62 52.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.57 144.97 43.1 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 121.086 0.47 . . . . 0.0 110.514 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -90.33 120.44 31.47 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -131.31 169.32 16.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.62 0.724 . . . . 0.0 112.266 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m -139.22 127.41 13.51 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 114.451 -1.249 . . . . 0.0 108.634 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -67.05 137.32 43.96 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.459 2.106 . . . . 0.0 112.87 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -87.51 35.86 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.94 0.876 . . . . 0.0 109.829 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 . . . . . 0 C--O 1.255 1.345 0 CA-C-N 114.051 -1.431 . . . . 0.0 108.29 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.74 -31.62 63.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 7.1 mp -67.94 132.63 47.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.795 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.2 m -141.43 144.75 34.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.091 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.7 -176.36 5.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.697 0.761 . . . . 0.0 112.109 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 49.5 t -102.18 145.28 29.62 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.112 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.63 ' HD2' ' HA ' ' A' ' 11' ' ' CYS . 51.6 ttm-85 -150.68 128.54 11.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.976 0.417 . . . . 0.0 110.128 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 21.2 ptmt -74.06 144.67 44.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.225 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.97 -74.41 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.123 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.616 ' HA ' HD12 ' A' ' 26' ' ' LEU . 59.7 m-70 -158.82 162.54 37.03 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.709 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 4.9 m -68.31 163.95 21.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.404 0.44 . . . . 0.0 110.625 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 2.6 pttt -76.09 160.93 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.4 tpm_? -73.87 66.14 1.11 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 122.258 1.028 . . . . 0.0 109.414 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.574 ' O ' ' HG3' ' A' ' 31' ' ' ARG . . . 174.6 -24.57 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.067 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.903 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 42.3 m-20 -78.08 165.04 24.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -124.5 125.32 44.04 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.574 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.2 t -62.76 136.11 26.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.286 0.565 . . . . 0.0 111.989 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.587 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 40.5 mmm-85 -118.39 -39.69 3.0 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.642 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.89 -154.99 19.87 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.962 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 p -94.93 150.34 20.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.513 0.197 . . . . 0.0 110.857 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.8 t -109.56 -49.51 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.283 0.563 . . . . 0.0 110.088 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.31 -156.5 12.5 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.783 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -61.54 96.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.267 0.556 . . . . 0.0 111.632 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 72.31 29.66 2.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.996 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 9.1 m-85 -128.76 139.91 51.98 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 10' ' ' HIS . 70.0 mt -115.06 151.43 34.27 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.556 0.693 . . . . 0.0 111.436 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -97.59 117.73 32.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.414 -1.266 . . . . 0.0 107.806 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.66 160.92 38.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.311 0.577 . . . . 0.0 111.722 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.587 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.0 m -125.38 111.95 25.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.066 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.903 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 Cg_endo -67.65 137.28 41.83 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.841 2.361 . . . . 0.0 113.762 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -80.51 -34.78 35.38 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 . . . . . 0 C--O 1.243 0.736 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.435 178.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.898 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.05 -45.13 93.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.055 0.455 . . . . 0.0 110.545 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 29.4 tp -158.19 45.47 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.8 0.809 . . . . 0.0 109.231 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 72.0 m -89.06 141.69 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.629 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.26 170.32 9.71 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.473 0.654 . . . . 0.0 110.697 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.3 t -93.79 137.39 33.08 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.535 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -151.14 128.78 11.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.816 0.341 . . . . 0.0 110.565 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.579 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -76.74 147.73 37.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.49 -179.385 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.72 -64.13 4.16 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.571 -0.74 . . . . 0.0 113.414 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.507 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -169.49 168.66 9.27 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 122.55 0.34 . . . . 0.0 110.433 -179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' ' 17' ' ' VAL . 13.6 m -68.37 171.72 6.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.456 179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.63 ' HE2' ' OD1' ' A' ' 15' ' ' ASP . 4.0 tmmm? -68.34 158.51 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 12' ' ' LYS . 23.7 tpp180 -52.82 107.26 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.293 0.568 . . . . 0.0 112.101 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . 82.57 19.07 64.68 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.206 -0.907 . . . . 0.0 114.291 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' OD1' ' HE2' ' A' ' 12' ' ' LYS . 10.8 m-20 -71.6 -170.7 0.56 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.72 0.76 . . . . 0.0 111.909 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -125.24 98.56 5.7 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.544 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -66.02 137.53 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.268 0.556 . . . . 0.0 110.999 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 3.3 mmp_? -115.17 -36.48 4.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.004 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.07 -159.73 23.75 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.328 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.6 p -96.39 149.65 21.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.664 0.268 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.8 t -106.4 -47.75 3.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.278 0.561 . . . . 0.0 109.95 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.86 -156.07 11.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.884 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 pt -62.12 93.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 111.591 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 74.36 27.1 1.48 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 7.0 m-85 -123.5 137.69 54.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 10' ' ' HIS . 54.1 mt -113.5 153.0 29.44 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.619 0.723 . . . . 0.0 111.597 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 4' ' ' CYS . 31.9 t80 -105.05 108.93 20.71 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.368 -1.287 . . . . 0.0 107.863 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.2 m -139.9 155.25 47.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.168 0.508 . . . . 0.0 111.938 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 m -99.9 128.3 31.38 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.134 177.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.613 ' HA ' ' CG ' ' A' ' 15' ' ' ASP . 18.7 Cg_endo -61.13 134.71 54.16 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.91 2.407 . . . . 0.0 113.275 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 29.8 ttm180 -64.41 -50.11 68.92 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.519 -1.219 . . . . 0.0 107.93 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.8 mt -63.83 -30.56 71.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.11 116.31 9.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.052 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.75 157.82 17.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.533 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -154.28 159.28 41.18 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.891 0.853 . . . . 0.0 112.026 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 25.1 t -89.11 141.53 28.42 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.979 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -151.41 134.23 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 111.273 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 7.4 ttpm? -77.12 138.05 39.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -63.82 1.7 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 113.132 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.49 174.9 1.84 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.2 m -75.36 168.06 20.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.664 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 15.7 mmmt -83.37 162.18 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 178.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -63.9 109.43 1.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.25 -18.25 9.59 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.598 -178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 1.039 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 8.2 m-20 -79.45 173.27 12.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.101 0.477 . . . . 0.0 109.984 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HD2' ' HB2' ' A' ' 31' ' ' ARG . 71.0 mtp180 -134.52 126.66 29.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.58 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.6 t -64.38 136.83 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.952 0.406 . . . . 0.0 111.001 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.664 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 4.2 mmp_? -118.37 -39.67 3.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.05 -159.44 23.26 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.554 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 p -95.74 151.56 19.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.727 0.298 . . . . 0.0 110.996 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.1 t -114.82 -48.37 2.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.213 0.53 . . . . 0.0 110.44 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.77 -154.21 9.76 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.049 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.62 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 111.53 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 26.8 mmm180 74.06 23.3 2.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.192 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.587 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 12.0 m-85 -116.02 137.38 52.17 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.98 146.52 43.95 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.913 0.387 . . . . 0.0 110.299 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -94.05 120.86 34.88 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.79 161.11 32.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.72 0.771 . . . . 0.0 112.189 -178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.638 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 80.6 m -129.73 114.29 17.88 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 114.163 -1.38 . . . . 0.0 107.356 177.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 1.039 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 14.1 Cg_exo -68.87 127.14 14.85 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.452 2.101 . . . . 0.0 113.744 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HB2' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 176.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 113.839 -1.528 . . . . 0.0 109.45 178.154 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.68 -122.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.587 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 7.3 mp -67.35 112.97 4.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 78.0 m -146.92 173.09 12.74 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.497 ' CD2' ' HD3' ' A' ' 30' ' ' PRO . 32.1 p90 -162.02 155.29 20.72 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.285 0.564 . . . . 0.0 111.059 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.7 t -90.83 143.44 26.72 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -146.87 147.12 30.5 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.267 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -95.74 129.06 43.07 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.237 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.37 -59.66 1.6 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.168 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.2 p80 179.93 161.32 0.91 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.794 0.331 . . . . 0.0 111.446 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' SG ' HG22 ' A' ' 17' ' ' VAL . 16.7 m -62.75 171.39 2.11 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.935 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 48.9 mtmt -66.06 159.08 26.8 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -61.42 104.72 0.43 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.908 0.385 . . . . 0.0 111.081 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.1 15.25 45.63 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 12' ' ' LYS . 1.2 m-20 -85.19 -164.0 0.93 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 117.678 0.739 . . . . 0.0 110.659 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.95 121.71 39.58 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.314 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.589 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.8 t -82.93 137.83 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.704 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -116.79 -38.52 3.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.62 0.248 . . . . 0.0 111.135 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.95 11.58 Favored Glycine 0 CA--C 1.507 -0.408 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.906 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 p -96.89 150.28 20.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.314 0.246 . . . . 0.0 111.045 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 53.4 t -114.86 -45.53 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.293 0.568 . . . . 0.0 109.789 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.8 -157.19 12.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.427 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' HD1' ' A' ' 25' ' ' PHE . 28.1 mm -64.58 103.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.061 0.458 . . . . 0.0 109.967 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 68.78 22.77 7.18 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.579 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.45 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 10.2 m-85 -119.73 138.44 53.31 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -115.65 147.7 40.52 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.383 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -90.9 116.9 29.07 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.5 m -127.19 171.84 11.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 60.9 m -141.31 126.31 10.74 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 74.5 Cg_endo -78.9 138.99 15.12 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.728 2.285 . . . . 0.0 113.643 -178.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.678 ' HG3' ' HD2' ' A' ' 32' ' ' ARG . 14.8 ptm180 -106.21 -10.26 16.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.465 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.678 ' HD2' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 CA-C-N 113.329 -1.759 . . . . 0.0 107.502 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.0 pt? -79.68 147.31 32.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.868 0.366 . . . . 0.0 110.241 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.426 ' HG ' ' HD2' ' A' ' 30' ' ' PRO . 2.2 pt? -151.88 45.36 0.76 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.849 0.833 . . . . 0.0 109.984 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.8 m -89.12 150.55 22.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -159.01 161.3 36.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.039 0.447 . . . . 0.0 110.07 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 27.7 t -90.36 151.44 21.45 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -151.8 131.68 13.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.0 110.618 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.6 pttp -76.02 141.21 42.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.224 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -59.28 2.51 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.771 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.48 176.77 0.79 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.018 0.527 . . . . 0.0 109.996 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 27.3 m -69.81 168.13 15.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.516 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -81.56 153.8 26.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -59.03 101.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.295 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 125.95 -17.55 6.74 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.724 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.717 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 21.2 m-20 -84.55 176.16 8.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.129 0.49 . . . . 0.0 110.638 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -135.99 134.99 39.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.85 141.15 18.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.823 0.82 . . . . 0.0 112.884 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 34.3 mmm-85 -115.22 -38.96 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.643 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.53 -150.9 9.99 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.846 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 10.7 p -128.82 149.25 50.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.98 -47.88 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 110.906 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.02 -149.5 6.14 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.589 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 pt -53.3 91.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 69.87 25.67 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.064 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.671 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 5.5 m-85 -117.22 133.58 55.82 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.8 mp -116.88 143.78 45.29 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.313 0.578 . . . . 0.0 110.746 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -89.89 121.55 32.11 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 m -135.88 170.97 15.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.599 0.714 . . . . 0.0 112.055 -177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.565 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 26.3 m -144.8 131.33 9.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.659 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.717 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 31.9 Cg_exo -59.45 137.63 79.2 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.577 2.185 . . . . 0.0 112.108 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -116.91 -41.37 3.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.098 179.354 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.14 144.89 36.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.595 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -75.62 136.77 40.47 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.228 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 3' ' ' LEU . 93.0 m -142.25 145.97 34.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.157 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.45 167.32 25.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.771 0.796 . . . . 0.0 111.701 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.1 t -84.88 150.48 24.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.167 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.503 HH11 ' HG3' ' A' ' 7' ' ' ARG . 16.1 tpt85 -148.17 150.15 33.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -92.6 138.71 31.27 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.13 -178.703 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.73 -57.8 4.76 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 113.57 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 179.84 170.74 1.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 12.5 m -63.79 167.49 5.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.603 0.565 . . . . 0.0 111.155 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' NZ ' ' HB2' ' A' ' 12' ' ' LYS . 8.1 mtmp? -103.65 174.61 5.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.045 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -59.7 116.95 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.46 -26.57 12.95 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.041 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.84 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 64.8 m-20 -76.29 170.95 15.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.75 0.786 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -136.53 128.37 29.2 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.512 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.645 HG22 ' SG ' ' A' ' 11' ' ' CYS . 11.4 t -65.07 136.76 26.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.141 0.496 . . . . 0.0 111.419 -178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.748 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 30.9 mmm-85 -119.09 -39.81 2.89 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.987 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.11 -155.03 16.06 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.507 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 p -98.85 149.84 22.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.722 0.296 . . . . 0.0 111.126 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 t -110.07 -48.19 3.22 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.367 0.603 . . . . 0.0 110.113 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' PHE . . . -172.66 -151.53 8.02 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.647 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 pt -61.2 95.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.169 0.509 . . . . 0.0 111.339 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 66.8 26.07 9.5 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.346 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 7.4 m-30 -113.73 136.2 53.11 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -114.03 148.05 37.66 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.338 0.589 . . . . 0.0 111.141 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 4' ' ' CYS . 12.3 t80 -97.25 115.01 26.83 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 m -130.53 166.67 20.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.449 0.642 . . . . 0.0 112.076 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.748 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 37.3 m -138.13 119.54 10.48 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.589 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.84 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 33.5 Cg_endo -65.29 140.2 63.28 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.216 2.611 . . . . 0.0 113.324 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 mmm-85 -103.77 -61.82 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.992 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' OXT' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.928 -1.034 . . . . 0.0 108.849 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' H3 ' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -136.77 134.41 37.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -176.57 157.14 1.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.274 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 79.4 m -150.32 144.17 25.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.506 ' HE2' ' HG3' ' A' ' 30' ' ' PRO . 21.9 p90 -159.94 152.91 21.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.625 0.726 . . . . 0.0 111.792 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -94.49 134.88 36.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.852 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -152.9 143.28 22.55 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.299 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.656 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 20.7 ptmt -75.45 148.52 39.01 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.794 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.46 -82.01 0.94 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.963 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.59 174.51 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.426 0.29 . . . . 0.0 110.71 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.623 ' SG ' HG22 ' A' ' 17' ' ' VAL . 34.9 m -67.75 169.33 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.004 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 87.9 tttt -82.09 144.61 30.68 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -55.94 105.82 0.22 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.373 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.39 -15.13 10.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.589 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 12' ' ' LYS . 60.2 m-20 -79.8 -178.09 6.24 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.265 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -126.33 130.09 50.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.04 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.623 HG22 ' SG ' ' A' ' 11' ' ' CYS . 5.3 t -72.39 135.67 27.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.393 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -105.08 -43.94 4.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.62 -153.77 23.4 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.998 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.1 p -93.22 152.85 18.95 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.743 0.306 . . . . 0.0 110.812 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.7 t -117.02 -48.88 2.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.014 0.435 . . . . 0.0 110.734 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -169.22 -153.31 8.33 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.578 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 10.4 pt -61.32 88.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.264 0.554 . . . . 0.0 111.907 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER 75.12 24.84 1.41 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.834 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.656 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.9 m-85 -118.65 138.66 52.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.15 147.92 45.56 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.065 0.459 . . . . 0.0 110.006 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -93.53 123.24 36.71 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.9 m -134.16 169.35 17.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 111.019 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 61.0 m -144.21 120.18 6.25 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.506 ' HG3' ' HE2' ' A' ' 5' ' ' TYR . 6.4 Cg_exo -73.79 132.16 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 123.0 2.466 . . . . 0.0 112.073 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -87.49 -24.72 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.06 0.457 . . . . 0.0 110.188 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 1.3 mpp_? . . . . . 0 C--O 1.244 0.766 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.653 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 3' ' ' LEU . 3.0 tm? -167.09 147.11 5.46 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.519 ' N ' HD13 ' A' ' 2' ' ' LEU . 2.4 pt? -157.94 145.05 18.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.449 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.2 m -141.05 153.68 45.61 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.32 158.39 34.27 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.752 0.787 . . . . 0.0 111.889 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.5 t -78.5 145.19 35.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.314 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.44 136.67 17.55 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 110.43 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.2 pttm -89.72 144.69 25.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.279 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.25 -53.93 4.65 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.82 -0.627 . . . . 0.0 113.238 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -177.3 172.56 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 122.639 0.375 . . . . 0.0 110.546 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 58.6 m -69.11 168.33 14.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.577 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.2 ttpm? -80.38 163.78 23.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.78 123.24 16.34 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' HD3' ' A' ' 31' ' ' ARG . . . 89.3 5.13 73.06 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.936 -0.649 . . . . 0.0 113.617 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.673 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -92.23 -175.8 4.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.568 0.684 . . . . 0.0 111.334 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.642 ' HB2' ' HD2' ' A' ' 31' ' ' ARG . 39.3 ttm180 -151.81 128.18 10.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.112 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.33 139.15 21.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.706 0.765 . . . . 0.0 111.958 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -118.35 -32.94 4.5 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.569 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.91 -168.51 33.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.149 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 p -97.72 150.91 20.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.462 0.172 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 46.3 t -113.36 -47.39 3.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.019 0.438 . . . . 0.0 110.627 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.13 -153.43 9.85 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.177 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 pt -62.26 91.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.259 0.552 . . . . 0.0 111.383 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 24' ' ' ARG . 10.9 tpt180 72.54 27.8 2.31 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.323 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 8' ' ' LYS . 3.9 m-85 -118.45 136.26 53.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 mt -121.87 150.12 42.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.622 0.725 . . . . 0.0 111.214 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -95.86 110.47 22.64 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -124.57 168.38 13.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.229 0.538 . . . . 0.0 112.044 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.609 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 4.3 m -138.9 130.36 15.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.941 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.673 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 49.6 Cg_endo -72.78 140.98 33.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.805 2.337 . . . . 0.0 113.055 -179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.642 ' HD2' ' HB2' ' A' ' 16' ' ' ARG . 3.8 mtp180 -100.16 -44.16 6.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.094 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.18 147.76 34.35 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 38.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.877 0.846 . . . . 0.0 110.218 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.6 m -89.83 155.89 18.85 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.462 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -151.91 155.31 37.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.751 0.786 . . . . 0.0 111.808 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 48.3 t -82.54 140.15 33.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.727 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -148.15 130.63 15.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 45.8 tttp -71.42 140.62 50.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.01 -86.94 1.4 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 121.028 -0.605 . . . . 0.0 112.882 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -160.54 160.06 31.41 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.658 0.383 . . . . 0.0 110.177 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.73 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 3.2 m -61.52 163.0 7.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.95 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 9.5 mtmp? -89.93 164.53 14.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -63.55 100.4 0.27 Allowed 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 32' ' ' ARG . . . 137.5 -30.17 2.62 Favored Glycine 0 N--CA 1.441 -1.019 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.73 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 45.0 m-20 -82.56 167.16 18.61 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' NH1' ' HB3' ' A' ' 31' ' ' ARG . 67.1 mtt85 -137.87 124.52 20.97 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.344 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.517 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 7.2 p -70.83 137.09 24.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.584 0.707 . . . . 0.0 112.005 -178.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 72.1 mtp180 -122.4 -28.34 4.3 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.944 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.04 -148.4 6.49 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.486 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.0 p -127.62 175.13 8.51 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -147.17 -49.58 0.19 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.568 ' H ' ' HB2' ' A' ' 25' ' ' PHE . . . -134.25 -168.23 11.71 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.227 -0.987 . . . . 0.0 113.639 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.9 pt -62.32 93.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.668 0.747 . . . . 0.0 111.629 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.497 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 9.5 ttm105 71.58 34.13 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.507 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 18.8 m-85 -118.34 133.64 55.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 8.0 mp -110.83 148.85 31.51 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 121.47 0.652 . . . . 0.0 111.506 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -94.54 111.61 23.37 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.374 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.8 166.7 16.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.023 0.439 . . . . 0.0 111.472 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.716 ' SG ' ' HD3' ' A' ' 18' ' ' ARG . 10.4 m -135.62 125.73 16.61 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.186 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 48.7 Cg_endo -68.98 151.48 73.49 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.298 2.665 . . . . 0.0 112.819 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 52.9 ttt85 -170.16 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.686 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.538 ' HA ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 mpp_? . . . . . 0 C--O 1.249 1.048 0 C-N-CA 124.549 1.14 . . . . 0.0 110.114 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.44 145.16 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.535 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -161.15 172.56 16.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.235 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.8 m -139.25 158.3 44.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -154.6 162.78 40.98 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 112.049 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.6 t -84.95 144.94 28.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.131 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -150.67 128.57 11.73 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.905 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 22.3 pttp -72.03 141.36 49.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.421 -179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.96 -64.2 4.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.576 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.769 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER 179.11 174.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.705 0.402 . . . . 0.0 110.776 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 7.6 m -62.84 165.97 6.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.285 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.697 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 4.7 ttpm? -78.3 159.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -67.93 83.46 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.573 ' O ' ' HB3' ' A' ' 31' ' ' ARG . . . 147.63 -18.83 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.399 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.697 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -74.6 -171.21 1.19 Allowed 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.783 0.802 . . . . 0.0 112.294 -179.172 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 ttm-85 -137.79 125.42 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.608 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.45 142.22 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.341 0.591 . . . . 0.0 111.718 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HG3' ' SG ' ' A' ' 29' ' ' CYS . 12.1 mmt85 -114.61 -42.74 3.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.909 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.95 -153.13 16.34 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.236 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.416 ' HA ' HD23 ' A' ' 26' ' ' LEU . 9.1 p -93.58 150.76 20.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.527 0.203 . . . . 0.0 111.012 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.7 t -113.74 -49.31 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 110.33 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -170.42 -154.47 9.51 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.083 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.843 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -60.57 93.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 111.445 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 70.31 27.71 4.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.325 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.6 m-85 -121.66 138.43 54.34 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 10' ' ' HIS . 73.3 mt -115.5 149.04 38.76 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.661 0.743 . . . . 0.0 110.997 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -93.15 116.96 29.52 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.061 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.9 m -134.12 172.96 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.259 0.552 . . . . 0.0 111.354 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 34.5 m -137.38 130.73 17.2 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.909 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.535 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 16.6 Cg_endo -58.74 137.54 80.6 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.765 2.31 . . . . 0.0 112.161 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HB3' ' O ' ' A' ' 14' ' ' GLY . 65.7 ttp85 -134.5 -33.91 0.96 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.05 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 117.552 -1.213 . . . . 0.0 108.611 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 tp -70.73 -36.06 72.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 110.881 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 38.9 tp -144.32 161.19 39.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.568 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.657 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 73.7 m -87.26 146.33 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.968 0.413 . . . . 0.0 109.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -113.42 160.61 18.24 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.329 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.9 t -96.85 138.82 33.81 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.904 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -150.89 148.6 28.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.161 0.505 . . . . 0.0 110.766 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -88.29 142.59 27.61 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.422 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -58.32 4.57 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.871 -0.604 . . . . 0.0 113.536 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.87 -179.61 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.947 0.403 . . . . 0.0 111.707 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.726 ' SG ' HG22 ' A' ' 17' ' ' VAL . 25.1 m -73.5 169.64 16.79 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.226 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.54 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 74.2 tttt -68.6 148.06 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -59.97 98.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.597 0.237 . . . . 0.0 110.783 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.55 -14.11 11.88 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.73 -0.748 . . . . 0.0 113.052 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.677 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 59.2 m-20 -73.4 -165.01 0.22 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 117.264 0.532 . . . . 0.0 111.791 -179.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -136.92 126.27 24.89 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.413 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.726 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.8 t -69.82 143.21 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.657 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 24.5 mmt180 -120.83 -38.31 2.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.007 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.71 -158.42 22.8 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.288 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 p -99.55 150.01 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.591 0.234 . . . . 0.0 110.767 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 25' ' ' PHE . 50.2 t -108.27 -48.28 3.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.448 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.76 -152.7 8.57 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.131 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.9 pt -60.43 93.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 111.682 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.3 mtp85 69.75 29.85 4.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.058 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 6.2 m-85 -121.54 137.98 54.5 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mp -115.24 150.88 35.46 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.054 0.454 . . . . 0.0 110.552 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.56 116.23 31.71 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 m -137.16 161.07 37.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.264 0.554 . . . . 0.0 111.911 -177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.4 m -113.38 131.71 22.81 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.481 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.677 ' HA ' ' CG ' ' A' ' 15' ' ' ASP . 21.3 Cg_exo -64.09 133.4 38.12 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.349 2.699 . . . . 0.0 113.016 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -91.85 -47.28 7.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.878 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.017 179.519 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.82 -44.06 8.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.484 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 7.1 mp -82.44 137.43 34.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.661 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.716 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 82.7 m -89.1 150.95 22.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.597 ' HE2' ' HB3' ' A' ' 30' ' ' PRO . 15.6 p90 -127.6 159.43 34.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 121.312 0.577 . . . . 0.0 109.944 178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.1 t -82.43 140.37 33.46 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.801 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -150.2 133.46 16.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 0.0 111.012 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -72.52 143.2 48.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.828 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.32 -61.44 4.18 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.629 -0.714 . . . . 0.0 114.21 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.58 177.76 2.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.825 0.345 . . . . 0.0 110.743 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.722 ' SG ' HG22 ' A' ' 17' ' ' VAL . 5.8 m -72.71 167.61 20.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.814 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 23.4 tptm -76.14 147.44 38.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 177.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.08 96.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 31' ' ' ARG . . . 134.54 -21.87 3.76 Favored Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.68 -178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' OD1' ' HA ' ' A' ' 30' ' ' PRO . 70.1 m-20 -70.35 179.33 2.5 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.442 0.639 . . . . 0.0 111.011 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' CG ' ' HB2' ' A' ' 29' ' ' CYS . 10.4 ptp85 -125.88 125.36 42.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.822 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.722 HG22 ' SG ' ' A' ' 11' ' ' CYS . 4.3 t -71.19 139.26 20.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.177 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 4.6 mmp_? -123.13 -40.15 2.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.08 -158.2 20.4 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.19 -1.005 . . . . 0.0 112.763 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 p -99.3 150.29 22.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.598 0.237 . . . . 0.0 110.841 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 25' ' ' PHE . 42.1 t -107.26 -46.19 3.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.379 0.609 . . . . 0.0 109.957 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.1 -156.67 14.02 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.67 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.3 pt -63.24 97.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.95 0.405 . . . . 0.0 111.056 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 23' ' ' ILE . 25.2 mmm180 73.44 24.28 2.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.305 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 1.2 m-85 -121.9 136.15 54.91 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -114.58 153.72 29.59 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.006 0.432 . . . . 0.0 110.579 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -106.71 113.26 26.65 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.63 155.88 47.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.123 0.487 . . . . 0.0 111.208 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.8 m -95.97 129.0 35.25 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.696 178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HB3' ' HE2' ' A' ' 5' ' ' TYR . 22.9 Cg_endo -62.4 138.2 69.7 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 123.211 2.607 . . . . 0.0 113.272 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 2.0 tpm_? -59.45 -72.96 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.385 179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? . . . . . 0 C--O 1.246 0.87 0 CA-C-O 117.622 -1.18 . . . . 0.0 111.079 -179.6 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' HG ' ' HD3' ' A' ' 32' ' ' ARG . 3.1 mm? -77.33 148.83 35.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 3.3 mm? -71.66 150.48 44.54 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.575 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.802 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 1.8 m -87.97 152.94 21.68 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -127.6 147.07 50.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.839 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 t -90.77 141.05 29.21 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.125 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 63.1 ttt180 -151.35 132.47 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.621 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 8' ' ' LYS . 14.5 ttpp -78.19 62.43 2.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.719 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.59 -109.21 0.26 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.339 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' O ' ' HD3' ' A' ' 7' ' ' ARG . 1.1 m80 -148.86 168.97 21.57 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 17' ' ' VAL . 3.5 m -63.98 162.32 14.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HZ2' ' CG ' ' A' ' 15' ' ' ASP . 10.2 mtmp? -82.86 159.47 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -64.43 90.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.02 0.438 . . . . 0.0 109.954 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.15 -24.8 2.22 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 66.2 m-20 -77.73 176.99 8.5 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.07 0.462 . . . . 0.0 110.366 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 24.3 mmt85 -128.79 132.1 47.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.631 HG22 ' SG ' ' A' ' 11' ' ' CYS . 7.8 t -68.85 137.26 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.434 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.802 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 48.1 mmm-85 -116.79 -39.45 3.28 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.874 0.369 . . . . 0.0 110.468 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 171.74 -155.53 24.15 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.196 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.0 p -98.39 148.72 23.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.649 0.261 . . . . 0.0 110.575 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -98.72 -48.41 4.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.343 0.592 . . . . 0.0 109.908 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.17 -156.54 13.13 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.589 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.6 pt -60.9 97.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 111.658 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 71.48 33.21 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -131.53 136.84 48.18 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -106.3 157.88 17.27 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.028 0.442 . . . . 0.0 110.678 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -119.8 116.63 26.28 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.11 161.56 32.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.129 0.49 . . . . 0.0 111.455 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.57 125.11 26.93 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.532 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.518 ' HA ' ' OD1' ' A' ' 15' ' ' ASP . 36.7 Cg_endo -69.72 137.35 35.35 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.544 2.162 . . . . 0.0 112.244 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 tpt85 -75.78 -49.29 18.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HG ' ' A' ' 2' ' ' LEU . 53.1 mtp85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.321 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.756 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.4 pt? -69.56 -37.12 76.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.974 0.416 . . . . 0.0 110.956 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.697 ' HG ' ' HG ' ' A' ' 2' ' ' LEU . 2.8 pp -165.21 -170.28 1.86 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.365 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 87.2 m -144.15 151.36 39.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.514 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -162.33 164.67 27.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.196 0.522 . . . . 0.0 110.75 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.631 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.7 t -93.14 149.93 20.88 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.264 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -152.75 129.99 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 110.244 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 24.3 pttm -77.3 142.88 39.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.119 0.485 . . . . 0.0 111.433 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -61.44 3.26 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.64 -0.709 . . . . 0.0 113.792 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.577 ' HA ' HD12 ' A' ' 26' ' ' LEU . 22.1 p-80 -177.07 161.73 1.93 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.475 0.179 . . . . 0.0 110.779 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.627 ' SG ' HG22 ' A' ' 17' ' ' VAL . 30.4 m -65.64 169.23 6.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.486 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.62 153.23 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 79.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.625 . . . . 0.0 110.269 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.58 -17.46 0.76 Allowed Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.024 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.597 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 2.2 m-20 -79.68 -173.59 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.32 0.581 . . . . 0.0 111.341 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -143.37 132.24 22.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.139 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG22 ' SG ' ' A' ' 11' ' ' CYS . 10.5 t -69.44 139.34 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.037 0.446 . . . . 0.0 111.646 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HD2' ' C ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -121.2 -36.8 3.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.799 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -176.0 -153.23 10.25 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.499 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.516 HG22 HD23 ' A' ' 26' ' ' LEU . 19.2 p -127.92 148.03 50.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.187 0.195 . . . . 0.0 110.493 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -100.84 -48.09 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 0.0 110.144 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -171.34 -152.26 8.19 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -55.51 97.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 70.52 26.3 4.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.542 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.631 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 4.2 m-85 -120.47 132.5 55.24 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 10' ' ' HIS . 23.2 mt -110.92 143.38 41.65 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.516 0.675 . . . . 0.0 110.978 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -93.39 114.91 27.44 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.4 m -126.62 167.93 15.01 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.763 0.792 . . . . 0.0 111.945 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.5 m -138.22 119.03 10.2 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 108.463 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' A' ' 15' ' ' ASP . 34.3 Cg_endo -68.23 135.62 34.88 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.528 2.152 . . . . 0.0 112.927 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttp-105 -80.48 -35.31 34.96 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 . . . . . 0 C--O 1.243 0.73 0 CA-C-N 114.445 -1.252 . . . . 0.0 107.789 178.334 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.09 151.73 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.529 ' O ' ' HD2' ' A' ' 30' ' ' PRO . 44.2 tp -71.52 145.5 49.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.212 -179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.5 m -148.59 149.07 30.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.06 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.452 ' O ' ' HD1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -165.6 157.27 14.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 121.479 0.656 . . . . 0.0 111.69 -179.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' A' ' 25' ' ' PHE . 42.8 t -82.41 151.03 26.78 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.74 179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -151.7 125.45 9.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.07 0.462 . . . . 0.0 110.995 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 25' ' ' PHE . 12.5 ptmm? -76.89 134.95 38.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.56 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.18 -64.0 0.62 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.112 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 p80 179.3 164.47 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.573 0.349 . . . . 0.0 110.494 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.97 169.03 4.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.246 0.546 . . . . 0.0 110.893 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 24.0 tptp -83.26 145.08 29.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.06 92.19 0.05 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.17 -25.83 2.34 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.949 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' A' ' 12' ' ' LYS . 1.2 m-20 -76.32 -176.73 3.74 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.13 0.491 . . . . 0.0 110.67 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -133.06 131.95 41.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.81 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -77.35 140.9 16.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.583 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 5.0 mmp_? -120.41 -37.48 3.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.712 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.63 -149.86 7.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' LEU . 7.8 p -135.21 148.67 49.72 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.209 0.203 . . . . 0.0 110.462 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 m -100.55 -48.97 4.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.081 0.467 . . . . 0.0 111.056 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.98 -146.15 4.82 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.595 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.8 pt -53.61 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.5 ttt85 70.32 29.12 3.68 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.283 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 3.1 m-85 -114.37 132.11 56.32 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 20' ' ' THR . 5.7 mp -115.23 143.75 44.77 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.093 0.473 . . . . 0.0 110.434 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -90.87 113.1 25.2 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 m -124.26 171.52 9.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.363 0.601 . . . . 0.0 110.831 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 56.5 m -141.82 128.6 11.31 Favored Pre-proline 0 C--N 1.315 -0.901 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.54 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.529 ' HD2' ' O ' ' A' ' 3' ' ' LEU . 37.1 Cg_endo -66.34 167.25 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.888 2.392 . . . . 0.0 111.03 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.45 -18.77 53.47 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.343 178.166 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.913 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.8 tp -76.04 143.65 41.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.066 0.46 . . . . 0.0 110.162 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.768 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? -96.48 147.85 23.41 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.613 ' SG ' ' HG3' ' A' ' 18' ' ' ARG . 95.6 m -87.91 155.71 19.72 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -125.75 154.47 42.46 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 121.484 0.659 . . . . 0.0 110.391 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 50.5 t -78.02 140.69 39.16 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.257 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -149.99 130.43 13.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.179 0.514 . . . . 0.0 110.871 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -73.83 141.65 46.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.578 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.67 -70.07 3.24 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.767 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.34 169.7 8.92 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 122.546 0.338 . . . . 0.0 110.453 -179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' ASP . 6.7 m -64.72 162.54 15.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.848 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HB3' ' OD1' ' A' ' 15' ' ' ASP . 18.8 ttpp -76.77 155.49 33.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.9 tpp180 -59.78 109.74 1.0 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -23.4 8.24 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.755 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.545 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -76.34 175.18 9.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.438 0.637 . . . . 0.0 110.549 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt-85 -142.06 121.09 12.88 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.097 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.489 ' HB ' ' SG ' ' A' ' 11' ' ' CYS . 9.6 p -64.67 143.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.426 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.613 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 48.8 mmt-85 -112.45 -36.98 5.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.987 178.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.02 -161.53 25.87 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.171 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.2 p -95.49 149.23 21.64 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.711 0.291 . . . . 0.0 110.976 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -106.21 -46.9 3.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.405 0.622 . . . . 0.0 109.811 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.0 -158.6 16.47 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.435 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -63.79 101.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 70.1 31.15 3.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.875 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -130.13 136.49 49.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -119.98 150.22 40.88 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.256 0.55 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 4' ' ' CYS . 3.2 t80 -99.4 114.36 27.23 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 m -133.92 162.52 31.8 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.392 0.615 . . . . 0.0 112.353 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.02 127.1 26.54 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.243 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.29 144.15 32.64 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.903 2.402 . . . . 0.0 113.058 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -148.67 19.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.566 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.663 -1.161 . . . . 0.0 108.884 179.507 . . . . . . . . 0 0 . 1 stop_ save_