data_1osx_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 1osx _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.9 m . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.48 0.181 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -37.64 -24.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.498 2.132 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.4 -57.64 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -108.78 134.23 51.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.721 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 97.8 m -102.22 155.01 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -79.13 107.31 11.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 45.5 t0 -90.32 148.61 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.3 mm? -87.99 -27.03 22.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.306 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.36 -50.83 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -8.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 58.55 56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.122 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -174.0 -177.68 1.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.9 m -82.82 133.54 35.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.99 150.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.724 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.05 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.8 m . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.516 0.198 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -38.22 -22.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.502 2.135 . . . . 0.0 112.476 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.5 -56.84 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.62 141.44 43.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.6 m -111.28 168.68 9.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 26' ' ' ASP . 12.7 t80 -73.08 148.02 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 37.2 t0 -146.03 134.84 22.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.8 mt -77.56 -39.15 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.6 mm? -45.0 -48.45 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -28.03 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.5 tpt180 80.26 46.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.741 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.07 -158.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.028 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.12 137.78 34.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -150.12 160.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.68 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 33.5 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.6 m . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.46 0.172 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -37.27 -22.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.542 2.161 . . . . 0.0 112.715 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.09 -56.12 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.32 136.79 44.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.2 m -102.37 160.9 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -64.03 152.27 40.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 48.7 t0 -155.1 129.99 9.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 1.7 mm? -88.02 -29.36 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -59.57 -13.4 9.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.37 -2.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 34.27 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.967 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -173.0 -175.4 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.869 0.366 . . . . 0.0 111.312 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -84.33 149.0 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.594 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.78 161.88 9.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.529 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 105.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 35.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.8 m . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.424 0.154 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -37.39 -23.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.527 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.15 -57.03 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.22 140.9 38.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.703 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -99.88 156.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.48 148.38 51.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -154.97 118.4 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.27 -27.29 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -49.98 -43.47 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 4.4 m -99.81 -11.01 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tpt85 80.05 31.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.41 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -175.09 -176.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -85.34 157.34 20.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.01 159.23 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 107.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 64.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.532 0.206 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -34.78 -35.56 0.11 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.704 2.27 . . . . 0.0 112.693 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -59.01 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.024 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.37 135.69 46.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.0 m -99.68 170.02 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -71.56 151.19 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -154.96 129.3 9.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.13 -24.36 23.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -49.93 -49.45 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 1.4 m -99.83 -8.45 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.8 tpt180 80.12 24.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.701 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.7 p-80 -163.74 -172.65 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.6 m -82.33 153.84 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.9 m -149.92 160.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.721 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.01 107.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.507 0.194 . . . . 0.0 110.726 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -48.58 -9.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.99 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -86.72 -47.9 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.58 135.8 54.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.698 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.4 m -99.89 171.39 7.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.77 155.6 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -153.43 135.1 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 1.1 mm? -87.86 -1.08 57.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 4.0 mt -76.13 -47.29 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.693 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -6.49 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' A' ' 28' ' ' LEU . 20.8 mmt-85 65.63 52.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.756 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.96 -151.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.898 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.573 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.9 m -104.96 144.77 31.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.203 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 16.2 m -146.05 154.16 13.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.01 106.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.626 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 22.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.758 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.442 0.163 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.57 -22.48 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.42 -56.29 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -103.62 135.58 44.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.2 m -103.8 174.79 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -74.5 155.23 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 4.0 t0 -154.96 134.78 12.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.78 -38.11 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.568 ' H ' ' CD2' ' A' ' 28' ' ' LEU . 2.3 mm? -51.09 -16.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 7.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 40.0 54.3 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.706 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -173.63 -172.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.879 179.442 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.6 m -87.53 146.63 25.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.167 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 19.4 m -150.1 155.77 7.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.945 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.23 104.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 11.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 22' ' ' ALA . 1.1 m . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.468 0.175 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -37.16 -24.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.532 2.155 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.63 -57.13 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.73 141.79 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -99.85 154.22 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -79.29 130.65 35.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -119.91 128.02 53.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 5.8 mp -83.5 -42.58 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' H ' HD21 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -41.71 -46.85 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -26.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.1 tpt85 80.02 53.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.557 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -172.57 179.14 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.958 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.1 m -93.92 149.66 21.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.53 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 32.6 m -150.15 153.73 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 102.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 57.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.979 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.4 m . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.572 0.225 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.82 -23.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.565 2.177 . . . . 0.0 112.439 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.48 -56.51 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 32' ' ' CYS . 7.7 pt-20 -119.23 139.43 51.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 89.3 m -99.89 158.97 15.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.38 160.45 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -154.98 133.43 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.762 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -88.06 -24.45 23.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 3.4 mp -54.5 -60.52 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.85 2.04 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 57.07 60.12 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.473 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.702 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -168.09 -142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.718 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.702 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 32.4 m -125.98 116.56 21.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.889 0.376 . . . . 0.0 111.321 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.414 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 14.3 m -106.39 165.62 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.617 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 114.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 84.0 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.7 m . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.411 0.148 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -38.89 -25.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.436 2.091 . . . . 0.0 112.43 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -67.65 -53.68 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -128.87 140.71 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.596 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 90.2 m -99.85 150.97 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.767 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.31 146.36 15.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -154.98 126.36 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 29' ' ' VAL . 27.2 mt -85.44 -35.82 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.47 -10.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 27' ' ' LEU . 14.3 m -140.04 4.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 111.402 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.23 34.66 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.844 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -173.56 178.12 2.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.124 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.68 152.27 28.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.373 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -141.12 166.69 17.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.27 108.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.1 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.8 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.469 0.175 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.96 -21.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.563 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.62 -56.54 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -104.14 134.95 46.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.3 m -99.98 169.7 9.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -77.79 150.68 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -154.33 135.49 13.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 1.6 mm? -87.99 -20.45 25.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.9 mp -52.27 -51.48 58.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 3.5 m -99.71 -14.46 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 6.3 tpt180 80.25 37.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.872 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -174.63 -173.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.1 m -75.87 148.99 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.504 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -150.08 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.738 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.42 106.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.7 m . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.46 0.171 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -37.59 -23.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.442 2.094 . . . . 0.0 112.486 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.36 -56.88 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -104.36 132.63 50.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -101.24 164.12 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.819 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -80.6 153.88 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -149.89 136.89 19.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.82 -36.69 31.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.6 mm? -44.56 -50.54 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -99.99 -28.61 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.827 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 80.05 49.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.663 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -178.23 1.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.779 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.2 m -82.62 140.37 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 111.107 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -144.03 151.89 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.806 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.42 100.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.809 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 10.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.553 0.216 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.43 -36.59 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.578 2.185 . . . . 0.0 112.42 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.41 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 6.3 pt-20 -122.66 142.14 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.636 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.9 m -105.39 157.13 17.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.92 143.42 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -152.05 129.38 11.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 3.4 mp -87.74 -17.67 31.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.8 mm? -61.0 -16.17 40.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 25.1 m -139.92 9.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 111.346 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.521 ' HE ' ' C ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER 60.68 35.97 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.0 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 3.9 p-80 -178.21 179.63 0.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 111.37 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.03 153.43 41.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.825 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 m -149.72 172.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.98 111.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.636 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 87.8 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' GLU . 3.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.503 0.192 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.83 -39.45 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.559 2.172 . . . . 0.0 112.397 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -56.51 20.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' VAL . 8.3 pt-20 -123.11 137.79 54.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.7 m -100.01 156.7 17.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -63.14 148.64 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -153.69 122.24 6.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.2 -12.83 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mp -61.6 -52.26 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -99.71 1.63 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.44 22.72 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.822 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -160.72 -174.81 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 111.26 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.0 m -81.95 154.17 25.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.26 161.24 5.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.58 102.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.034 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.7 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.1 m . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.528 0.204 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.52 -24.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.631 2.221 . . . . 0.0 112.482 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.29 -57.73 3.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.2 143.68 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -99.91 179.56 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.686 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -78.72 159.34 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -155.1 130.43 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.05 -41.21 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' H ' ' CD2' ' A' ' 28' ' ' LEU . 2.7 mm? -44.94 -48.72 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -4.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 56.96 54.51 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.561 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.5 -150.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.586 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 72.6 m -109.83 138.53 46.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -134.43 161.74 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 119.15 4.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 88.9 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.56 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' ALA . 5.6 m . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.484 0.183 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -37.91 -23.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.468 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.2 -57.5 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 7.1 pt-20 -109.88 140.56 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 64.1 m -113.44 172.91 6.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.32 152.97 44.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.91 139.79 17.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -84.68 -36.28 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.56 -14.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -136.91 -30.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER 80.41 46.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.38 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.1 p-80 -172.84 -156.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.015 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -94.05 136.39 34.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.16 167.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.63 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.353 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 61.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.571 0.224 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -36.93 -26.94 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.542 2.161 . . . . 0.0 112.479 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -70.1 -58.94 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.34 135.36 50.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.8 m -99.88 161.48 13.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -74.93 153.15 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -141.04 133.52 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 2.3 mm? -83.73 -11.09 57.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.11 -59.86 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.74 -11.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.658 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 71.03 60.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.471 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -172.33 -161.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 23.0 m -99.24 146.95 25.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.211 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 24.9 m -146.03 149.26 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.99 99.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 37.0 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.552 0.215 . . . . 0.0 110.643 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -48.33 -8.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.598 2.199 . . . . 0.0 112.105 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -87.25 -43.62 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.775 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.07 144.91 51.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.607 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.654 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.5 m -99.93 155.97 17.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.945 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.43 113.03 9.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.794 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -101.58 120.22 39.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.24 -5.22 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.35 -53.92 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.92 5.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 59.42 51.64 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.929 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -173.91 177.94 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 179.157 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.21 157.5 41.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.64 107.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 67.2 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.3 m . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.472 0.177 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -38.07 -21.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.571 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.22 -56.27 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -105.12 135.03 47.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 75.5 m -99.86 163.56 12.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -74.76 148.21 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.734 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -151.03 131.88 14.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.99 -8.55 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -81.62 -11.05 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.672 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 18.3 m -125.59 -15.71 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.045 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 74.17 30.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 16.1 p-80 -177.52 -172.63 0.38 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.86 0.362 . . . . 0.0 111.155 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.1 m -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.27 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 m -146.17 163.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 113.23 1.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 17.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.2 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.461 0.172 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -37.94 -22.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.505 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.9 -56.73 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.58 135.9 47.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.61 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -99.95 179.99 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -76.87 159.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.08 124.61 6.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.08 9.78 21.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.35 -53.11 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.992 0.425 . . . . 0.0 110.783 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.72 0.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.705 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.71 55.76 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.81 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -176.23 -153.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.629 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.1 m -106.23 140.82 38.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.76 161.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 107.31 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 34.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 19' ' ' CYS . 59.6 Cg_endo -71.04 -163.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.095 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 18' ' ' PRO . 34.1 m -58.46 -146.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.9 m -152.81 149.43 22.17 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -37.64 -24.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.498 2.132 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.4 -57.64 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -108.78 134.23 51.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.721 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 97.8 m -102.22 155.01 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -79.13 107.31 11.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 45.5 t0 -90.32 148.61 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.3 mm? -87.99 -27.03 22.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.306 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.36 -50.83 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -8.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 58.55 56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.122 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -174.0 -177.68 1.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.9 m -82.82 133.54 35.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.99 150.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.724 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.05 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m -39.85 115.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.41 -42.44 2.23 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.6 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt 56.26 17.0 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -139.82 170.04 16.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -84.19 125.38 32.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.8 m 62.52 131.11 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.19 -95.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.238 1.959 . . . . 0.0 112.223 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.532 0.206 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -38.69 155.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.466 2.111 . . . . 0.0 112.535 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.2 m -69.22 -145.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.8 m -151.99 149.3 23.16 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -38.22 -22.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.502 2.135 . . . . 0.0 112.476 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.5 -56.84 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.62 141.44 43.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.6 m -111.28 168.68 9.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 26' ' ' ASP . 12.7 t80 -73.08 148.02 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 37.2 t0 -146.03 134.84 22.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.8 mt -77.56 -39.15 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.6 mm? -45.0 -48.45 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -28.03 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.5 tpt180 80.26 46.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.741 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.07 -158.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.028 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.12 137.78 34.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -150.12 160.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.68 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 33.5 m -42.83 99.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.8 -64.26 0.61 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.3 mt 54.95 58.35 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.622 ' CD1' ' H ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -140.0 -157.18 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.622 ' H ' ' CD1' ' A' ' 38' ' ' LEU . 7.9 tpp85 -60.99 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.1 m -160.57 68.18 2.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.15 169.54 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.768 2.312 . . . . 0.0 112.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.931 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.858 0.361 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -72.82 124.81 9.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.749 2.3 . . . . 0.0 112.166 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.85 -157.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.6 m -153.92 151.39 24.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -37.27 -22.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.542 2.161 . . . . 0.0 112.715 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.09 -56.12 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.32 136.79 44.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.2 m -102.37 160.9 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -64.03 152.27 40.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 48.7 t0 -155.1 129.99 9.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 1.7 mm? -88.02 -29.36 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -59.57 -13.4 9.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.37 -2.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 34.27 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.967 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -173.0 -175.4 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.869 0.366 . . . . 0.0 111.312 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -84.33 149.0 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.594 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.78 161.88 9.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.529 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 105.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 35.0 m -40.85 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.58 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 128.99 -54.18 0.79 Allowed Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.426 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp 56.82 0.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.58 ' H ' ' C ' ' A' ' 36' ' ' GLY . 41.8 mt -140.21 -161.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.675 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -160.29 121.72 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.989 0.423 . . . . 0.0 110.995 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' ARG . 7.9 m 29.55 64.65 0.8 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.685 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.73 100.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.669 2.246 . . . . 0.0 112.264 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.471 ' NE ' ' C ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.695 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 10.2 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 17' ' ' THR . 74.0 Cg_endo -86.21 167.49 9.25 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.929 1.752 . . . . 0.0 112.36 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.81 -156.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.8 m -152.86 151.42 26.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -37.39 -23.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.527 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.15 -57.03 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.22 140.9 38.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.703 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -99.88 156.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.48 148.38 51.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -154.97 118.4 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.27 -27.29 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -49.98 -43.47 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 4.4 m -99.81 -11.01 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tpt85 80.05 31.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.41 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -175.09 -176.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -85.34 157.34 20.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.01 159.23 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' CB ' ' HE ' ' A' ' 39' ' ' ARG . . . -52.2 107.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 64.2 m -45.49 113.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.17 -27.06 6.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.519 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.75 60.28 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mp -99.63 -29.45 12.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HE ' ' CB ' ' A' ' 34' ' ' ALA . 1.1 mpp_? -48.31 -51.29 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.7 p 50.74 57.63 17.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.75 109.13 2.72 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.244 . . . . 0.0 112.223 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.927 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.82 -93.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.527 0.175 0 C-N-CA 122.802 2.335 . . . . 0.0 112.159 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.87 -158.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.721 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.72 151.57 26.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -34.78 -35.56 0.11 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.704 2.27 . . . . 0.0 112.693 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -59.01 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.024 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.37 135.69 46.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.0 m -99.68 170.02 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -71.56 151.19 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -154.96 129.3 9.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.13 -24.36 23.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -49.93 -49.45 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 1.4 m -99.83 -8.45 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.8 tpt180 80.12 24.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.701 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.7 p-80 -163.74 -172.65 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.6 m -82.33 153.84 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.9 m -149.92 160.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.721 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . -49.01 107.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m -39.98 122.44 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.49 -33.14 3.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.35 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mp 54.56 19.5 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.001 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.7 118.51 36.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -171.99 116.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 p -117.61 88.19 28.63 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -52.06 142.79 43.28 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.869 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.543 0.211 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -38.59 112.35 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.557 2.171 . . . . 0.0 112.431 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 m -76.1 -146.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -152.89 156.15 32.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -48.58 -9.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.99 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -86.72 -47.9 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.58 135.8 54.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.698 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.4 m -99.89 171.39 7.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.77 155.6 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -153.43 135.1 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 1.1 mm? -87.86 -1.08 57.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 4.0 mt -76.13 -47.29 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.693 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -6.49 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' A' ' 28' ' ' LEU . 20.8 mmt-85 65.63 52.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.756 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.96 -151.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.898 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.573 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.9 m -104.96 144.77 31.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.203 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 16.2 m -146.05 154.16 13.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.01 106.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.626 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 22.3 m -46.58 99.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.82 -60.28 0.53 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt 42.96 51.13 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' CD1' ' H ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -99.9 -103.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.539 ' H ' ' CD1' ' A' ' 38' ' ' LEU . 57.8 ttt180 -172.5 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 m -159.77 96.21 1.59 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.39 -44.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.47 2.113 . . . . 0.0 112.383 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.697 0.284 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.03 -57.39 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.571 2.181 . . . . 0.0 112.145 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.67 -158.27 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.3 m -154.47 152.08 25.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.57 -22.48 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.42 -56.29 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -103.62 135.58 44.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.2 m -103.8 174.79 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -74.5 155.23 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 4.0 t0 -154.96 134.78 12.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.78 -38.11 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' H ' ' CD2' ' A' ' 28' ' ' LEU . 2.3 mm? -51.09 -16.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 7.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 40.0 54.3 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.706 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -173.63 -172.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.879 179.442 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.6 m -87.53 146.63 25.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.167 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 19.4 m -150.1 155.77 7.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.945 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.23 104.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 11.0 m -42.92 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.69 -47.97 0.95 Allowed Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.3 mt 44.36 41.41 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.5 tp -99.95 97.57 8.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -40.08 121.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.7 p -79.02 145.16 64.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.36 151.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.341 2.028 . . . . 0.0 112.4 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 19' ' ' CYS . 1.4 t . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.77 -6.65 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.773 2.315 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.514 ' H ' ' C ' ' A' ' 17' ' ' THR . 32.2 m -70.6 -155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 22' ' ' ALA . 1.1 m -152.35 152.73 29.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -37.16 -24.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.532 2.155 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.63 -57.13 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.73 141.79 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -99.85 154.22 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -79.29 130.65 35.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -119.91 128.02 53.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 5.8 mp -83.5 -42.58 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' H ' HD21 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -41.71 -46.85 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -26.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.1 tpt85 80.02 53.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.557 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -172.57 179.14 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.958 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.1 m -93.92 149.66 21.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.53 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 32.6 m -150.15 153.73 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 102.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 57.9 m -39.98 99.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.979 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 140.68 -69.53 0.46 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.528 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp 53.32 10.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' GLY . 1.4 pt? -140.1 129.35 23.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.29 41.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 7.1 p 48.06 52.06 11.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 40' ' ' THR . 57.1 Cg_endo -69.86 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.501 0.191 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -39.81 98.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.459 2.106 . . . . 0.0 112.436 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.76 -145.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.4 m -151.48 150.11 25.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.82 -23.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.565 2.177 . . . . 0.0 112.439 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.48 -56.51 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 32' ' ' CYS . 7.7 pt-20 -119.23 139.43 51.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 89.3 m -99.89 158.97 15.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.38 160.45 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -154.98 133.43 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.762 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -88.06 -24.45 23.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 3.4 mp -54.5 -60.52 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.85 2.04 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 57.07 60.12 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.473 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.702 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -168.09 -142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.718 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.702 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 32.4 m -125.98 116.56 21.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.889 0.376 . . . . 0.0 111.321 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.414 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 14.3 m -106.39 165.62 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.617 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 114.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 84.0 m -47.18 117.51 1.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 -8.28 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 35' ' ' CYS . 6.1 mp 56.25 20.15 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.773 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.15 101.31 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.714 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -39.53 134.55 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -127.6 68.51 74.29 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.82 90.9 1.22 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.598 2.199 . . . . 0.0 112.287 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.839 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.683 0.278 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.74 -91.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.575 2.184 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.3 m -78.11 -143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.7 m -136.83 150.9 71.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -38.89 -25.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.436 2.091 . . . . 0.0 112.43 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -67.65 -53.68 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -128.87 140.71 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.596 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 90.2 m -99.85 150.97 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.767 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.31 146.36 15.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -154.98 126.36 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 29' ' ' VAL . 27.2 mt -85.44 -35.82 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' H ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.47 -10.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 27' ' ' LEU . 14.3 m -140.04 4.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 111.402 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.23 34.66 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.844 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -173.56 178.12 2.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.124 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.68 152.27 28.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.373 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -141.12 166.69 17.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.27 108.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.1 m -48.28 113.07 0.67 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.76 -15.77 7.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt 55.98 39.85 30.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.67 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 tt -99.95 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.76 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' OG1' ' A' ' 40' ' ' THR . 18.0 tpp85 -83.76 142.62 30.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 39' ' ' ARG . 16.1 p 52.25 56.02 15.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.42 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.201 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.859 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.644 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.6 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.542 0.21 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.2 Cg_exo -56.95 -29.86 83.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.454 2.102 . . . . 0.0 112.308 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 m -77.79 -157.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.8 m -153.89 151.63 25.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.96 -21.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.563 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.62 -56.54 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -104.14 134.95 46.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.3 m -99.98 169.7 9.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -77.79 150.68 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -154.33 135.49 13.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 1.6 mm? -87.99 -20.45 25.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.9 mp -52.27 -51.48 58.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 3.5 m -99.71 -14.46 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 6.3 tpt180 80.25 37.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.872 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -174.63 -173.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.1 m -75.87 148.99 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.504 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -150.08 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.738 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.42 106.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.6 m -41.89 125.52 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.72 -30.35 3.52 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp 50.08 22.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.06 49.96 1.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -60.3 175.85 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -43.57 146.19 0.99 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.25 124.52 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.441 2.094 . . . . 0.0 112.374 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.959 -179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.58 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.601 0.238 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 17' ' ' THR . 82.4 Cg_endo -88.3 -162.18 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.0 112.362 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.98 -152.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.7 m -155.12 150.36 20.96 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -37.59 -23.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.442 2.094 . . . . 0.0 112.486 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.36 -56.88 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -104.36 132.63 50.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -101.24 164.12 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.819 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -80.6 153.88 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -149.89 136.89 19.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.82 -36.69 31.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.6 mm? -44.56 -50.54 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -99.99 -28.61 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.827 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 80.05 49.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.663 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -178.23 1.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.779 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 9.2 m -82.62 140.37 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 111.107 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -144.03 151.89 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.806 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.42 100.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.809 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 10.8 m -39.77 99.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.05 -61.81 0.54 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.434 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 42.41 57.41 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.33 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -140.07 40.47 1.96 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 -135.12 -81.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.2 m -158.84 55.31 0.8 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 -88.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.14 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.556 0.217 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.2 Cg_exo -56.15 -42.65 64.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.434 2.089 . . . . 0.0 112.22 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.2 m -67.21 -144.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.46 149.84 65.91 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.43 -36.59 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.578 2.185 . . . . 0.0 112.42 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.41 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 6.3 pt-20 -122.66 142.14 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.636 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.9 m -105.39 157.13 17.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.92 143.42 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -152.05 129.38 11.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 3.4 mp -87.74 -17.67 31.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.8 mm? -61.0 -16.17 40.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 25.1 m -139.92 9.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 111.346 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.521 ' HE ' ' C ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER 60.68 35.97 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.0 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 3.9 p-80 -178.21 179.63 0.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 111.37 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.03 153.43 41.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.825 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 m -149.72 172.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.98 111.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.636 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 87.8 m -54.52 99.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.98 -70.91 0.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.573 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mt 56.49 58.95 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.548 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.0 mt -140.05 -91.97 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.279 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.8 tpp180 -71.21 104.55 3.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 39' ' ' ARG . 33.7 p 28.9 70.28 0.53 Allowed Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.702 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' ARG . 31.9 Cg_exo -60.0 95.7 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.918 2.412 . . . . 0.0 112.388 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PRO . 23.4 ptt180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.22 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.67 0.271 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 73.7 Cg_endo -72.62 -94.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.224 . . . . 0.0 112.257 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 39.6 m -158.44 -143.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' GLU . 3.7 m -126.39 149.71 68.22 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.83 -39.45 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.559 2.172 . . . . 0.0 112.397 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -56.51 20.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' VAL . 8.3 pt-20 -123.11 137.79 54.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.7 m -100.01 156.7 17.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -63.14 148.64 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -153.69 122.24 6.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.2 -12.83 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mp -61.6 -52.26 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -99.71 1.63 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.44 22.72 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.822 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -160.72 -174.81 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 111.26 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.0 m -81.95 154.17 25.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.26 161.24 5.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.58 102.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.034 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.7 m -40.11 99.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 38' ' ' LEU . . . 156.33 -78.96 0.19 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.527 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 44.19 17.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 40' ' ' THR . 14.4 tp -99.9 -1.35 37.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' NH2' HH21 ' A' ' 42' ' ' ARG . 4.8 ptm180 -73.71 37.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.506 ' H ' ' HG1' ' A' ' 40' ' ' THR . 0.1 OUTLIER -42.04 -64.08 0.75 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 40' ' ' THR . 35.1 Cg_endo -63.2 159.77 37.71 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.545 2.163 . . . . 0.0 112.193 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.474 HH21 ' NH2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.696 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.6 t . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 17' ' ' THR . 73.3 Cg_exo -50.05 153.3 6.64 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.765 1.643 . . . . 0.0 112.374 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' PRO . 29.9 m -59.6 -145.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.1 m -136.03 150.32 70.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.52 -24.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.631 2.221 . . . . 0.0 112.482 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.29 -57.73 3.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.2 143.68 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -99.91 179.56 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.686 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -78.72 159.34 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -155.1 130.43 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.05 -41.21 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' H ' ' CD2' ' A' ' 28' ' ' LEU . 2.7 mm? -44.94 -48.72 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -4.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 56.96 54.51 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.561 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.5 -150.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.586 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 72.6 m -109.83 138.53 46.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -134.43 161.74 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 119.15 4.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 88.9 m -53.05 99.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.56 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.62 -24.46 12.13 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.027 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.4 mt 56.35 48.01 17.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 111.039 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.57 50.22 0.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.716 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -146.02 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -110.97 87.57 7.16 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.64 172.12 15.64 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.289 1.993 . . . . 0.0 112.373 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.892 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.515 ' C ' ' H ' ' A' ' 19' ' ' CYS . 16.7 p . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.533 0.206 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.4 26.41 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.478 2.119 . . . . 0.0 112.381 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.515 ' H ' ' C ' ' A' ' 17' ' ' THR . 21.2 m -69.3 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' ALA . 5.6 m -153.11 148.9 20.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -37.91 -23.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.468 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.2 -57.5 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 7.1 pt-20 -109.88 140.56 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 64.1 m -113.44 172.91 6.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.32 152.97 44.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.91 139.79 17.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -84.68 -36.28 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.56 -14.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -136.91 -30.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER 80.41 46.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.38 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.1 p-80 -172.84 -156.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.015 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -94.05 136.39 34.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.16 167.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.63 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.353 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 61.5 m -43.73 99.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 129.46 -49.62 0.92 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.591 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 58.4 -0.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.739 0.304 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 36' ' ' GLY . 7.2 mp -116.03 17.9 15.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' C ' ' HG1' ' A' ' 40' ' ' THR . 10.9 tpp85 -65.41 5.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' ARG . 6.7 m -160.89 77.39 2.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -46.85 82.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.726 2.284 . . . . 0.0 112.397 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' THR . 11.2 tpt180 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.643 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.6 m . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.509 0.195 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.7 Cg_exo -56.73 -65.39 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.388 2.059 . . . . 0.0 112.244 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -98.04 -147.09 0.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.9 m -151.85 150.32 25.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -36.93 -26.94 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.542 2.161 . . . . 0.0 112.479 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -70.1 -58.94 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.34 135.36 50.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.8 m -99.88 161.48 13.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -74.93 153.15 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -141.04 133.52 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' N ' ' CD2' ' A' ' 27' ' ' LEU . 2.3 mm? -83.73 -11.09 57.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.11 -59.86 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.74 -11.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.658 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 71.03 60.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.471 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -172.33 -161.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 23.0 m -99.24 146.95 25.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.211 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 24.9 m -146.03 149.26 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.99 99.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 37.0 m -39.98 99.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.66 -54.77 0.78 Allowed Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.253 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp 54.12 60.3 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.69 0.281 . . . . 0.0 110.917 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mp -99.64 -135.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -40.68 -70.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.514 ' HG1' ' NH1' ' A' ' 42' ' ' ARG . 1.2 t -170.48 76.02 0.6 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -49.3 -58.38 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.86 2.373 . . . . 0.0 112.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.514 ' NH1' ' HG1' ' A' ' 40' ' ' THR . 16.6 mmt85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.35 127.2 12.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 m -75.95 -144.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -150.86 156.2 35.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -48.33 -8.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.598 2.199 . . . . 0.0 112.105 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -87.25 -43.62 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.775 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.07 144.91 51.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.607 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.5 m -99.93 155.97 17.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.945 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.43 113.03 9.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.794 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -101.58 120.22 39.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.24 -5.22 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.35 -53.92 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.92 5.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 59.42 51.64 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.929 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' C ' ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -173.91 177.94 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 179.157 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.21 157.5 41.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.64 107.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 67.2 m -48.99 99.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 149.39 -69.48 0.33 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp 51.08 9.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.732 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' A' ' 36' ' ' GLY . 16.0 tp -109.64 166.64 10.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.654 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -90.77 99.24 12.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 178.47 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.181 179.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 40' ' ' THR . 78.4 Cg_exo -51.14 165.74 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.543 2.162 . . . . 0.0 112.38 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.891 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 78.0 Cg_exo -48.75 -8.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.622 2.215 . . . . 0.0 112.427 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' H ' ' C ' ' A' ' 17' ' ' THR . 5.0 m -136.36 -153.52 0.5 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.3 m -154.93 150.29 21.07 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.629 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -38.07 -21.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.571 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.22 -56.27 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -105.12 135.03 47.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 75.5 m -99.86 163.56 12.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -74.76 148.21 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.734 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -151.03 131.88 14.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.99 -8.55 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -81.62 -11.05 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.672 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 18.3 m -125.59 -15.71 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.045 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 74.17 30.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 16.1 p-80 -177.52 -172.63 0.38 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.86 0.362 . . . . 0.0 111.155 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 10.1 m -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.27 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 m -146.17 163.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 113.23 1.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 17.8 m -52.01 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.56 -28.35 7.87 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.175 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp 56.45 60.23 3.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.899 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.67 -102.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -95.31 92.44 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.44 155.2 29.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.3 -28.93 86.33 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.709 2.272 . . . . 0.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.925 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.615 0.245 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.45 -170.52 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.173 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 m -71.42 -150.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.2 m -154.03 149.69 21.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -37.94 -22.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.505 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.9 -56.73 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.58 135.9 47.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.61 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -99.95 179.99 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -76.87 159.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.08 124.61 6.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.08 9.78 21.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.35 -53.11 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.992 0.425 . . . . 0.0 110.783 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.72 0.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.705 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.71 55.76 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.81 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -176.23 -153.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.629 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.1 m -106.23 140.82 38.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -137.76 161.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 107.31 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 34.5 m -43.63 99.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 140.48 -75.25 0.35 Allowed Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.2 mt 56.9 1.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 36' ' ' GLY . 17.7 tp -101.19 -72.85 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' THR . 32.3 mmm-85 -148.33 -168.57 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.67 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.7 t 34.77 64.9 1.72 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.419 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.97 95.85 0.67 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.54 2.16 . . . . 0.0 112.191 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.892 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.9 m . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.48 0.181 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -37.64 -24.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.498 2.132 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.4 -57.64 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -108.78 134.23 51.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.721 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 97.8 m -102.22 155.01 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -79.13 107.31 11.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 45.5 t0 -90.32 148.61 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.3 mm? -87.99 -27.03 22.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.306 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.36 -50.83 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -8.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 58.55 56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.122 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CD2' HG13 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -174.0 -177.68 1.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.9 m -82.82 133.54 35.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.449 HG13 ' CD2' ' A' ' 31' ' ' HIS . 3.0 m -145.99 150.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.724 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.05 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.8 m . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.516 0.198 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -38.22 -22.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.502 2.135 . . . . 0.0 112.476 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.5 -56.84 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.62 141.44 43.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.6 m -111.28 168.68 9.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 26' ' ' ASP . 12.7 t80 -73.08 148.02 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 37.2 t0 -146.03 134.84 22.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.8 mt -77.56 -39.15 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -45.0 -48.45 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -28.03 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.5 tpt180 80.26 46.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.741 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.07 -158.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.028 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.12 137.78 34.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -150.12 160.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.68 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 33.5 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.6 m . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.46 0.172 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -37.27 -22.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.542 2.161 . . . . 0.0 112.715 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.09 -56.12 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.32 136.79 44.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.2 m -102.37 160.9 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -64.03 152.27 40.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 48.7 t0 -155.1 129.99 9.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.7 mm? -88.02 -29.36 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -59.57 -13.4 9.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.37 -2.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 34.27 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.967 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -173.0 -175.4 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.869 0.366 . . . . 0.0 111.312 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -84.33 149.0 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.594 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.78 161.88 9.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.529 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 105.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 35.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.8 m . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.424 0.154 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -37.39 -23.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.527 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.15 -57.03 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.22 140.9 38.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.703 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -99.88 156.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.48 148.38 51.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -154.97 118.4 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.27 -27.29 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 1.4 mm? -49.98 -43.47 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 4.4 m -99.81 -11.01 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tpt85 80.05 31.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.41 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -175.09 -176.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -85.34 157.34 20.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.01 159.23 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 107.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 64.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.532 0.206 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -34.78 -35.56 0.11 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.704 2.27 . . . . 0.0 112.693 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -59.01 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.024 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.37 135.69 46.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.0 m -99.68 170.02 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -71.56 151.19 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -154.96 129.3 9.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.8 mp -88.13 -24.36 23.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -49.93 -49.45 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 1.4 m -99.83 -8.45 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.8 tpt180 80.12 24.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.701 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.7 p-80 -163.74 -172.65 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.6 m -82.33 153.84 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.9 m -149.92 160.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.721 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.01 107.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.507 0.194 . . . . 0.0 110.726 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -48.58 -9.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.99 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -86.72 -47.9 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.58 135.8 54.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.698 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.4 m -99.89 171.39 7.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.77 155.6 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -153.43 135.1 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.1 mm? -87.86 -1.08 57.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 4.0 mt -76.13 -47.29 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.693 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -6.49 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' A' ' 28' ' ' LEU . 20.8 mmt-85 65.63 52.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.756 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.96 -151.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.898 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.573 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.9 m -104.96 144.77 31.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.203 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.439 HG13 ' NE2' ' A' ' 31' ' ' HIS . 16.2 m -146.05 154.16 13.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.01 106.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.626 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 22.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.758 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.442 0.163 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.57 -22.48 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.42 -56.29 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -103.62 135.58 44.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.2 m -103.8 174.79 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -74.5 155.23 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 4.0 t0 -154.96 134.78 12.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.78 -38.11 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.734 HD22 ' H ' ' A' ' 28' ' ' LEU . 2.3 mm? -51.09 -16.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 7.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 40.0 54.3 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.706 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -173.63 -172.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.879 179.442 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.6 m -87.53 146.63 25.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.167 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 19.4 m -150.1 155.77 7.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.945 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.23 104.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 11.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 22' ' ' ALA . 1.1 m . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.468 0.175 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -37.16 -24.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.532 2.155 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.63 -57.13 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.73 141.79 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -99.85 154.22 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -79.29 130.65 35.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -119.91 128.02 53.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.8 mp -83.5 -42.58 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -41.71 -46.85 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -26.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.1 tpt85 80.02 53.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.557 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -172.57 179.14 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.958 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.1 m -93.92 149.66 21.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.53 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 32.6 m -150.15 153.73 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 102.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 57.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.979 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.4 m . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.572 0.225 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.82 -23.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.565 2.177 . . . . 0.0 112.439 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.48 -56.51 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 32' ' ' CYS . 7.7 pt-20 -119.23 139.43 51.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 89.3 m -99.89 158.97 15.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.38 160.45 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -154.98 133.43 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.762 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -88.06 -24.45 23.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 3.4 mp -54.5 -60.52 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -99.85 2.04 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 57.07 60.12 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.473 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.702 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -168.09 -142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.718 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.702 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 32.4 m -125.98 116.56 21.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.889 0.376 . . . . 0.0 111.321 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG12 ' NE2' ' A' ' 31' ' ' HIS . 14.3 m -106.39 165.62 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.617 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 114.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 84.0 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.7 m . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.411 0.148 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -38.89 -25.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.436 2.091 . . . . 0.0 112.43 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -67.65 -53.68 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -128.87 140.71 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.596 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 90.2 m -99.85 150.97 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.767 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.31 146.36 15.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -154.98 126.36 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 29' ' ' VAL . 27.2 mt -85.44 -35.82 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.47 -10.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' LEU . 14.3 m -140.04 4.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 111.402 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.23 34.66 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.844 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -173.56 178.12 2.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.124 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.68 152.27 28.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.373 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -141.12 166.69 17.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.27 108.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.1 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.8 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.469 0.175 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.96 -21.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.563 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.62 -56.54 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -104.14 134.95 46.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.3 m -99.98 169.7 9.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -77.79 150.68 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -154.33 135.49 13.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.6 mm? -87.99 -20.45 25.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.9 mp -52.27 -51.48 58.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 3.5 m -99.71 -14.46 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 6.3 tpt180 80.25 37.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.872 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -174.63 -173.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.1 m -75.87 148.99 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.504 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -150.08 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.738 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.42 106.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.7 m . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.46 0.171 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -37.59 -23.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.442 2.094 . . . . 0.0 112.486 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.36 -56.88 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -104.36 132.63 50.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -101.24 164.12 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.819 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -80.6 153.88 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -149.89 136.89 19.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.0 mp -80.82 -36.69 31.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -44.56 -50.54 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -99.99 -28.61 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.827 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 80.05 49.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.663 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -178.23 1.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.779 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.2 m -82.62 140.37 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 111.107 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -144.03 151.89 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.806 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.42 100.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.809 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 10.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.553 0.216 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.43 -36.59 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.578 2.185 . . . . 0.0 112.42 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.41 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 6.3 pt-20 -122.66 142.14 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.636 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.9 m -105.39 157.13 17.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.92 143.42 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -152.05 129.38 11.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.4 mp -87.74 -17.67 31.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.8 mm? -61.0 -16.17 40.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 25.1 m -139.92 9.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 111.346 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' HE ' ' C ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER 60.68 35.97 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.0 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 3.9 p-80 -178.21 179.63 0.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 111.37 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.03 153.43 41.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.825 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 m -149.72 172.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.98 111.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.636 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 87.8 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' GLU . 3.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.503 0.192 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.83 -39.45 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.559 2.172 . . . . 0.0 112.397 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -56.51 20.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' VAL . 8.3 pt-20 -123.11 137.79 54.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.7 m -100.01 156.7 17.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -63.14 148.64 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -153.69 122.24 6.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.2 -12.83 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mp -61.6 -52.26 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.508 ' HB ' ' CE1' ' A' ' 31' ' ' HIS . 2.4 m -99.71 1.63 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.44 22.72 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.822 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.508 ' CE1' ' HB ' ' A' ' 29' ' ' VAL . 1.5 p80 -160.72 -174.81 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 111.26 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.0 m -81.95 154.17 25.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.26 161.24 5.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.58 102.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.034 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.7 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.1 m . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.528 0.204 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.52 -24.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.631 2.221 . . . . 0.0 112.482 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.29 -57.73 3.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.2 143.68 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -99.91 179.56 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.686 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -78.72 159.34 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -155.1 130.43 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.7 mp -88.05 -41.21 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD22 ' H ' ' A' ' 28' ' ' LEU . 2.7 mm? -44.94 -48.72 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -4.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 56.96 54.51 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.561 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.5 -150.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.586 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 72.6 m -109.83 138.53 46.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.498 HG12 ' NE2' ' A' ' 31' ' ' HIS . 24.8 m -134.43 161.74 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 119.15 4.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 88.9 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.56 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' ALA . 5.6 m . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.484 0.183 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -37.91 -23.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.468 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.2 -57.5 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 7.1 pt-20 -109.88 140.56 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 64.1 m -113.44 172.91 6.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.32 152.97 44.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.91 139.79 17.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -84.68 -36.28 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.56 -14.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -136.91 -30.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER 80.41 46.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.38 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.1 p-80 -172.84 -156.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.015 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -94.05 136.39 34.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.16 167.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.63 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.353 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 61.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.571 0.224 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -36.93 -26.94 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.542 2.161 . . . . 0.0 112.479 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -70.1 -58.94 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.34 135.36 50.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.8 m -99.88 161.48 13.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -74.93 153.15 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -141.04 133.52 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.3 mm? -83.73 -11.09 57.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.11 -59.86 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.74 -11.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.658 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 71.03 60.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.471 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -172.33 -161.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 23.0 m -99.24 146.95 25.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.211 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 24.9 m -146.03 149.26 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.99 99.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 37.0 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.552 0.215 . . . . 0.0 110.643 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -48.33 -8.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.598 2.199 . . . . 0.0 112.105 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -87.25 -43.62 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.775 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.07 144.91 51.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.607 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.654 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.5 m -99.93 155.97 17.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.945 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.43 113.03 9.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.794 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -101.58 120.22 39.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.1 mm? -84.24 -5.22 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.35 -53.92 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.92 5.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 59.42 51.64 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.929 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' NE2' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -173.91 177.94 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 179.157 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.503 HG12 ' NE2' ' A' ' 31' ' ' HIS . 33.6 m -134.21 157.5 41.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.64 107.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 67.2 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.3 m . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.472 0.177 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -38.07 -21.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.571 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.22 -56.27 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -105.12 135.03 47.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 75.5 m -99.86 163.56 12.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -74.76 148.21 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.734 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.548 ' HB3' HG22 ' A' ' 29' ' ' VAL . 4.5 t0 -151.03 131.88 14.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.4 mp -87.99 -8.55 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -81.62 -11.05 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.672 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 18.3 m -125.59 -15.71 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.045 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 74.17 30.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 16.1 p-80 -177.52 -172.63 0.38 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.86 0.362 . . . . 0.0 111.155 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.1 m -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.27 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG13 HG21 ' A' ' 29' ' ' VAL . 9.5 m -146.17 163.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 113.23 1.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 17.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.2 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.461 0.172 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -37.94 -22.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.505 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.9 -56.73 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.58 135.9 47.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.61 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -99.95 179.99 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -76.87 159.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.08 124.61 6.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.08 9.78 21.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.35 -53.11 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.992 0.425 . . . . 0.0 110.783 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.72 0.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.705 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.71 55.76 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.81 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -176.23 -153.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.629 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.1 m -106.23 140.82 38.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.476 HG12 ' NE2' ' A' ' 31' ' ' HIS . 29.5 m -137.76 161.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 107.31 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 34.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 19' ' ' CYS . 59.6 Cg_endo -71.04 -163.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.095 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 18' ' ' PRO . 34.1 m -58.46 -146.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.9 m -152.81 149.43 22.17 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -37.64 -24.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.498 2.132 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.4 -57.64 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -108.78 134.23 51.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.721 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 97.8 m -102.22 155.01 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -79.13 107.31 11.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 45.5 t0 -90.32 148.61 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.3 mm? -87.99 -27.03 22.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.306 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.36 -50.83 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -8.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 58.55 56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.122 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CD2' HG13 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -174.0 -177.68 1.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.9 m -82.82 133.54 35.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.449 HG13 ' CD2' ' A' ' 31' ' ' HIS . 3.0 m -145.99 150.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.724 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.05 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m -39.85 115.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.41 -42.44 2.23 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.6 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt 56.26 17.0 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -139.82 170.04 16.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -84.19 125.38 32.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.8 m 62.52 131.11 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.19 -95.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.238 1.959 . . . . 0.0 112.223 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.532 0.206 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -38.69 155.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.466 2.111 . . . . 0.0 112.535 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.2 m -69.22 -145.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.8 m -151.99 149.3 23.16 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -38.22 -22.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.502 2.135 . . . . 0.0 112.476 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.5 -56.84 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.62 141.44 43.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.6 m -111.28 168.68 9.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 26' ' ' ASP . 12.7 t80 -73.08 148.02 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 37.2 t0 -146.03 134.84 22.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.8 mt -77.56 -39.15 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -45.0 -48.45 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -28.03 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.5 tpt180 80.26 46.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.741 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.07 -158.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.028 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.12 137.78 34.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -150.12 160.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.68 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 33.5 m -42.83 99.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.8 -64.26 0.61 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.3 mt 54.95 58.35 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.617 ' CD1' ' H ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -140.0 -157.18 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.617 ' H ' ' CD1' ' A' ' 38' ' ' LEU . 7.9 tpp85 -60.99 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.1 m -160.57 68.18 2.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.15 169.54 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.768 2.312 . . . . 0.0 112.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.931 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.858 0.361 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -72.82 124.81 9.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.749 2.3 . . . . 0.0 112.166 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.85 -157.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.6 m -153.92 151.39 24.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -37.27 -22.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.542 2.161 . . . . 0.0 112.715 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.09 -56.12 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.32 136.79 44.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.2 m -102.37 160.9 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -64.03 152.27 40.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 48.7 t0 -155.1 129.99 9.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.7 mm? -88.02 -29.36 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -59.57 -13.4 9.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.37 -2.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 34.27 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.967 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -173.0 -175.4 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.869 0.366 . . . . 0.0 111.312 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -84.33 149.0 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.594 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.78 161.88 9.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.529 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 105.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 35.0 m -40.85 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.556 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 128.99 -54.18 0.79 Allowed Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.426 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp 56.82 0.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 36' ' ' GLY . 41.8 mt -140.21 -161.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.675 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -160.29 121.72 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.989 0.423 . . . . 0.0 110.995 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' ARG . 7.9 m 29.55 64.65 0.8 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.685 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.73 100.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.669 2.246 . . . . 0.0 112.264 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HE ' ' C ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.695 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 10.2 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 17' ' ' THR . 74.0 Cg_endo -86.21 167.49 9.25 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.929 1.752 . . . . 0.0 112.36 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.81 -156.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.8 m -152.86 151.42 26.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -37.39 -23.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.527 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.15 -57.03 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.22 140.9 38.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.703 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -99.88 156.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.48 148.38 51.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -154.97 118.4 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.27 -27.29 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 1.4 mm? -49.98 -43.47 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 4.4 m -99.81 -11.01 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tpt85 80.05 31.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.41 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -175.09 -176.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -85.34 157.34 20.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.01 159.23 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' CB ' ' HE ' ' A' ' 39' ' ' ARG . . . -52.2 107.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 64.2 m -45.49 113.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.17 -27.06 6.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.519 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.75 60.28 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mp -99.63 -29.45 12.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' HE ' ' CB ' ' A' ' 34' ' ' ALA . 1.1 mpp_? -48.31 -51.29 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.7 p 50.74 57.63 17.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.75 109.13 2.72 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.244 . . . . 0.0 112.223 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.927 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.82 -93.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.527 0.175 0 C-N-CA 122.802 2.335 . . . . 0.0 112.159 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.87 -158.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.721 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.72 151.57 26.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -34.78 -35.56 0.11 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.704 2.27 . . . . 0.0 112.693 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -59.01 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.024 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.37 135.69 46.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.0 m -99.68 170.02 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -71.56 151.19 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -154.96 129.3 9.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.8 mp -88.13 -24.36 23.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -49.93 -49.45 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 1.4 m -99.83 -8.45 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.8 tpt180 80.12 24.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.701 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.7 p-80 -163.74 -172.65 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.6 m -82.33 153.84 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.9 m -149.92 160.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.721 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . -49.01 107.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m -39.98 122.44 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.501 ' C ' HD12 ' A' ' 37' ' ' LEU . . . 84.49 -33.14 3.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.35 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 37' ' ' LEU . 2.8 mp 54.56 19.5 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.001 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 36' ' ' GLY . 3.2 mm? -99.7 118.51 36.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -171.99 116.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 p -117.61 88.19 28.63 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -52.06 142.79 43.28 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.869 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.543 0.211 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -38.59 112.35 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.557 2.171 . . . . 0.0 112.431 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 m -76.1 -146.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -152.89 156.15 32.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -48.58 -9.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.99 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -86.72 -47.9 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.58 135.8 54.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.698 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.4 m -99.89 171.39 7.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.77 155.6 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -153.43 135.1 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.1 mm? -87.86 -1.08 57.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 4.0 mt -76.13 -47.29 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.693 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -6.49 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' A' ' 28' ' ' LEU . 20.8 mmt-85 65.63 52.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.756 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.96 -151.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.898 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.573 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.9 m -104.96 144.77 31.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.203 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.439 HG13 ' NE2' ' A' ' 31' ' ' HIS . 16.2 m -146.05 154.16 13.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.01 106.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.626 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 22.3 m -46.58 99.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.82 -60.28 0.53 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt 42.96 51.13 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.63 HD13 ' H ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -99.9 -103.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.63 ' H ' HD13 ' A' ' 38' ' ' LEU . 57.8 ttt180 -172.5 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 m -159.77 96.21 1.59 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.39 -44.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.47 2.113 . . . . 0.0 112.383 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.697 0.284 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.03 -57.39 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.571 2.181 . . . . 0.0 112.145 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.67 -158.27 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.3 m -154.47 152.08 25.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.57 -22.48 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.42 -56.29 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -103.62 135.58 44.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.2 m -103.8 174.79 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -74.5 155.23 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 4.0 t0 -154.96 134.78 12.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.78 -38.11 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.734 HD22 ' H ' ' A' ' 28' ' ' LEU . 2.3 mm? -51.09 -16.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 7.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 40.0 54.3 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.706 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -173.63 -172.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.879 179.442 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.6 m -87.53 146.63 25.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.167 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 19.4 m -150.1 155.77 7.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.945 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.23 104.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 11.0 m -42.92 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.69 -47.97 0.95 Allowed Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD11 HG21 ' A' ' 33' ' ' VAL . 15.3 mt 44.36 41.41 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.5 tp -99.95 97.57 8.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HG3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -40.08 121.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.7 p -79.02 145.16 64.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.36 151.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.341 2.028 . . . . 0.0 112.4 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 19' ' ' CYS . 1.4 t . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.77 -6.65 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.773 2.315 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' H ' ' C ' ' A' ' 17' ' ' THR . 32.2 m -70.6 -155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 22' ' ' ALA . 1.1 m -152.35 152.73 29.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -37.16 -24.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.532 2.155 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.63 -57.13 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.73 141.79 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -99.85 154.22 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -79.29 130.65 35.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -119.91 128.02 53.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.8 mp -83.5 -42.58 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -41.71 -46.85 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -26.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.1 tpt85 80.02 53.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.557 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -172.57 179.14 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.958 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.1 m -93.92 149.66 21.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.53 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 32.6 m -150.15 153.73 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.657 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -55.4 102.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 57.9 m -39.98 99.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.979 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.518 ' O ' HD22 ' A' ' 38' ' ' LEU . . . 140.68 -69.53 0.46 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.528 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 34' ' ' ALA . 5.8 mp 53.32 10.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' O ' ' A' ' 36' ' ' GLY . 1.4 pt? -140.1 129.35 23.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.29 41.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 7.1 p 48.06 52.06 11.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 40' ' ' THR . 57.1 Cg_endo -69.86 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.501 0.191 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -39.81 98.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.459 2.106 . . . . 0.0 112.436 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.76 -145.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.4 m -151.48 150.11 25.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.82 -23.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.565 2.177 . . . . 0.0 112.439 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.48 -56.51 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 32' ' ' CYS . 7.7 pt-20 -119.23 139.43 51.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 89.3 m -99.89 158.97 15.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.38 160.45 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -154.98 133.43 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.762 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -88.06 -24.45 23.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 3.4 mp -54.5 -60.52 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -99.85 2.04 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 57.07 60.12 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.473 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.702 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -168.09 -142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.718 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.702 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 32.4 m -125.98 116.56 21.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.889 0.376 . . . . 0.0 111.321 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG12 ' NE2' ' A' ' 31' ' ' HIS . 14.3 m -106.39 165.62 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.617 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 114.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 84.0 m -47.18 117.51 1.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 -8.28 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 35' ' ' CYS . 6.1 mp 56.25 20.15 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.773 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.15 101.31 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.714 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -39.53 134.55 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -127.6 68.51 74.29 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.82 90.9 1.22 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.598 2.199 . . . . 0.0 112.287 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.839 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.683 0.278 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.74 -91.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.575 2.184 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.3 m -78.11 -143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.7 m -136.83 150.9 71.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -38.89 -25.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.436 2.091 . . . . 0.0 112.43 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -67.65 -53.68 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -128.87 140.71 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.596 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 90.2 m -99.85 150.97 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.767 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.31 146.36 15.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -154.98 126.36 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 29' ' ' VAL . 27.2 mt -85.44 -35.82 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.47 -10.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' LEU . 14.3 m -140.04 4.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 111.402 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.23 34.66 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.844 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -173.56 178.12 2.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.124 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.68 152.27 28.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.373 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -141.12 166.69 17.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.27 108.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.1 m -48.28 113.07 0.67 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.76 -15.77 7.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt 55.98 39.85 30.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.67 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 38' ' ' LEU . 4.2 tt -99.95 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.76 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' O ' ' OG1' ' A' ' 40' ' ' THR . 18.0 tpp85 -83.76 142.62 30.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 39' ' ' ARG . 16.1 p 52.25 56.02 15.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.42 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.201 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.859 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.644 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.6 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.542 0.21 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.2 Cg_exo -56.95 -29.86 83.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.454 2.102 . . . . 0.0 112.308 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 m -77.79 -157.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.8 m -153.89 151.63 25.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.96 -21.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.563 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.62 -56.54 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -104.14 134.95 46.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.3 m -99.98 169.7 9.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -77.79 150.68 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -154.33 135.49 13.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.6 mm? -87.99 -20.45 25.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.9 mp -52.27 -51.48 58.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 3.5 m -99.71 -14.46 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 6.3 tpt180 80.25 37.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.872 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -174.63 -173.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.1 m -75.87 148.99 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.504 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -150.08 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.738 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.42 106.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.6 m -41.89 125.52 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.72 -30.35 3.52 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp 50.08 22.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.06 49.96 1.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -60.3 175.85 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -43.57 146.19 0.99 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.25 124.52 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.441 2.094 . . . . 0.0 112.374 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.959 -179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.58 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.601 0.238 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 17' ' ' THR . 82.4 Cg_endo -88.3 -162.18 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.0 112.362 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.98 -152.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.7 m -155.12 150.36 20.96 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -37.59 -23.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.442 2.094 . . . . 0.0 112.486 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.36 -56.88 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -104.36 132.63 50.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -101.24 164.12 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.819 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -80.6 153.88 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -149.89 136.89 19.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.0 mp -80.82 -36.69 31.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -44.56 -50.54 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -99.99 -28.61 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.827 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 80.05 49.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.663 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -178.23 1.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.779 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 9.2 m -82.62 140.37 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 111.107 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.403 ' CG2' HD21 ' A' ' 37' ' ' LEU . 29.7 m -144.03 151.89 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.806 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -53.42 100.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 10.8 m -39.77 99.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.05 -61.81 0.54 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.434 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 34' ' ' ALA . 1.4 mm? 42.41 57.41 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.33 . . . . 0.0 110.787 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 38' ' ' LEU . 1.9 pt? -140.07 40.47 1.96 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 -135.12 -81.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.2 m -158.84 55.31 0.8 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 -88.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.14 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.556 0.217 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.2 Cg_exo -56.15 -42.65 64.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.434 2.089 . . . . 0.0 112.22 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.2 m -67.21 -144.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.46 149.84 65.91 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.43 -36.59 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.578 2.185 . . . . 0.0 112.42 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.41 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 6.3 pt-20 -122.66 142.14 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.636 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.9 m -105.39 157.13 17.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.92 143.42 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -152.05 129.38 11.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.4 mp -87.74 -17.67 31.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.8 mm? -61.0 -16.17 40.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 25.1 m -139.92 9.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 111.346 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' HE ' ' C ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER 60.68 35.97 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.0 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 3.9 p-80 -178.21 179.63 0.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 111.37 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.03 153.43 41.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.825 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.534 HG21 HD11 ' A' ' 37' ' ' LEU . 11.5 m -149.72 172.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.98 111.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.636 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 87.8 m -54.52 99.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.98 -70.91 0.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.573 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD11 HG21 ' A' ' 33' ' ' VAL . 7.4 mt 56.49 58.95 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.548 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.0 mt -140.05 -91.97 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.279 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.8 tpp180 -71.21 104.55 3.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 39' ' ' ARG . 33.7 p 28.9 70.28 0.53 Allowed Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.702 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' ARG . 31.9 Cg_exo -60.0 95.7 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.918 2.412 . . . . 0.0 112.388 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PRO . 23.4 ptt180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.22 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.67 0.271 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 73.7 Cg_endo -72.62 -94.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.224 . . . . 0.0 112.257 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 39.6 m -158.44 -143.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' GLU . 3.7 m -126.39 149.71 68.22 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.83 -39.45 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.559 2.172 . . . . 0.0 112.397 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -56.51 20.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' VAL . 8.3 pt-20 -123.11 137.79 54.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.7 m -100.01 156.7 17.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -63.14 148.64 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -153.69 122.24 6.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.2 -12.83 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mp -61.6 -52.26 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.508 ' HB ' ' CE1' ' A' ' 31' ' ' HIS . 2.4 m -99.71 1.63 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.44 22.72 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.822 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.508 ' CE1' ' HB ' ' A' ' 29' ' ' VAL . 1.5 p80 -160.72 -174.81 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 111.26 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.0 m -81.95 154.17 25.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.26 161.24 5.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.58 102.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.034 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.7 m -40.11 99.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 38' ' ' LEU . . . 156.33 -78.96 0.19 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.527 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 44.19 17.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' GLY . 14.4 tp -99.9 -1.35 37.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.491 ' NH2' HH21 ' A' ' 42' ' ' ARG . 4.8 ptm180 -73.71 37.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -42.04 -64.08 0.75 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 40' ' ' THR . 35.1 Cg_endo -63.2 159.77 37.71 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.545 2.163 . . . . 0.0 112.193 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.491 HH21 ' NH2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.696 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.6 t . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 17' ' ' THR . 73.3 Cg_exo -50.05 153.3 6.64 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.765 1.643 . . . . 0.0 112.374 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' PRO . 29.9 m -59.6 -145.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.1 m -136.03 150.32 70.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.52 -24.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.631 2.221 . . . . 0.0 112.482 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.29 -57.73 3.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.2 143.68 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -99.91 179.56 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.686 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -78.72 159.34 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -155.1 130.43 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.7 mp -88.05 -41.21 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD22 ' H ' ' A' ' 28' ' ' LEU . 2.7 mm? -44.94 -48.72 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -4.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 56.96 54.51 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.561 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.5 -150.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.586 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 72.6 m -109.83 138.53 46.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.498 HG12 ' NE2' ' A' ' 31' ' ' HIS . 24.8 m -134.43 161.74 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 119.15 4.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 88.9 m -53.05 99.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.56 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.62 -24.46 12.13 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.027 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.4 mt 56.35 48.01 17.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 111.039 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.57 50.22 0.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.716 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -146.02 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -110.97 87.57 7.16 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.64 172.12 15.64 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.289 1.993 . . . . 0.0 112.373 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.892 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 19' ' ' CYS . 16.7 p . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.533 0.206 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.4 26.41 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.478 2.119 . . . . 0.0 112.381 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.478 ' H ' ' C ' ' A' ' 17' ' ' THR . 21.2 m -69.3 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' ALA . 5.6 m -153.11 148.9 20.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -37.91 -23.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.468 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.2 -57.5 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 7.1 pt-20 -109.88 140.56 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 64.1 m -113.44 172.91 6.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.32 152.97 44.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.91 139.79 17.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -84.68 -36.28 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.56 -14.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -136.91 -30.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER 80.41 46.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.38 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.1 p-80 -172.84 -156.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.015 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -94.05 136.39 34.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -150.16 167.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.662 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -48.63 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.353 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 61.5 m -43.73 99.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 129.46 -49.62 0.92 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.591 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 34' ' ' ALA . 4.3 mm? 58.4 -0.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.739 0.304 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' A' ' 36' ' ' GLY . 7.2 mp -116.03 17.9 15.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -65.41 5.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' ARG . 6.7 m -160.89 77.39 2.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -46.85 82.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.726 2.284 . . . . 0.0 112.397 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' THR . 11.2 tpt180 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.643 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.6 m . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.509 0.195 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.7 Cg_exo -56.73 -65.39 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.388 2.059 . . . . 0.0 112.244 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -98.04 -147.09 0.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.9 m -151.85 150.32 25.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -36.93 -26.94 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.542 2.161 . . . . 0.0 112.479 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -70.1 -58.94 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.34 135.36 50.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.8 m -99.88 161.48 13.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -74.93 153.15 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -141.04 133.52 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.3 mm? -83.73 -11.09 57.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.11 -59.86 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.74 -11.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.658 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 71.03 60.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.471 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -172.33 -161.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 23.0 m -99.24 146.95 25.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.211 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 24.9 m -146.03 149.26 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -51.99 99.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.974 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 37.0 m -39.98 99.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.66 -54.77 0.78 Allowed Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.253 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 34' ' ' ALA . 5.9 mp 54.12 60.3 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.69 0.281 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mp -99.64 -135.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -40.68 -70.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -170.48 76.02 0.6 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -49.3 -58.38 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.86 2.373 . . . . 0.0 112.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.946 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.35 127.2 12.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 m -75.95 -144.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -150.86 156.2 35.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -48.33 -8.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.598 2.199 . . . . 0.0 112.105 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -87.25 -43.62 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.775 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.07 144.91 51.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.607 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.5 m -99.93 155.97 17.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.945 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.43 113.03 9.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.794 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -101.58 120.22 39.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.1 mm? -84.24 -5.22 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.35 -53.92 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.92 5.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 59.42 51.64 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.929 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' NE2' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -173.91 177.94 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 179.157 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.503 HG12 ' NE2' ' A' ' 31' ' ' HIS . 33.6 m -134.21 157.5 41.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.64 107.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 67.2 m -48.99 99.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 149.39 -69.48 0.33 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp 51.08 9.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.732 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' GLY . 16.0 tp -109.64 166.64 10.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.654 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -90.77 99.24 12.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 178.47 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.181 179.797 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 40' ' ' THR . 78.4 Cg_exo -51.14 165.74 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.543 2.162 . . . . 0.0 112.38 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.891 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 78.0 Cg_exo -48.75 -8.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.622 2.215 . . . . 0.0 112.427 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' H ' ' C ' ' A' ' 17' ' ' THR . 5.0 m -136.36 -153.52 0.5 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.3 m -154.93 150.29 21.07 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.629 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -38.07 -21.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.571 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.22 -56.27 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -105.12 135.03 47.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 75.5 m -99.86 163.56 12.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -74.76 148.21 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.734 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.548 ' HB3' HG22 ' A' ' 29' ' ' VAL . 4.5 t0 -151.03 131.88 14.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.4 mp -87.99 -8.55 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -81.62 -11.05 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.672 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 18.3 m -125.59 -15.71 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.045 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 74.17 30.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 16.1 p-80 -177.52 -172.63 0.38 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.86 0.362 . . . . 0.0 111.155 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 10.1 m -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.27 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG13 HG21 ' A' ' 29' ' ' VAL . 9.5 m -146.17 163.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 113.23 1.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 17.8 m -52.01 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.56 -28.35 7.87 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.175 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp 56.45 60.23 3.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.899 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.67 -102.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -95.31 92.44 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.44 155.2 29.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.3 -28.93 86.33 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.709 2.272 . . . . 0.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.925 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.615 0.245 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.45 -170.52 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.173 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 m -71.42 -150.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.2 m -154.03 149.69 21.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -37.94 -22.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.505 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.9 -56.73 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.58 135.9 47.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.61 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -99.95 179.99 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -76.87 159.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.08 124.61 6.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.08 9.78 21.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.35 -53.11 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.992 0.425 . . . . 0.0 110.783 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.72 0.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.705 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.71 55.76 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.81 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -176.23 -153.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.629 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.1 m -106.23 140.82 38.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.476 HG12 ' NE2' ' A' ' 31' ' ' HIS . 29.5 m -137.76 161.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 107.31 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 34.5 m -43.63 99.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 140.48 -75.25 0.35 Allowed Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD11 HG21 ' A' ' 33' ' ' VAL . 86.2 mt 56.9 1.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 36' ' ' GLY . 17.7 tp -101.19 -72.85 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' THR . 32.3 mmm-85 -148.33 -168.57 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.67 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.7 t 34.77 64.9 1.72 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.419 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.97 95.85 0.67 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.54 2.16 . . . . 0.0 112.191 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.892 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.9 m . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.48 0.181 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -37.64 -24.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.498 2.132 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.4 -57.64 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -108.78 134.23 51.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.721 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 97.8 m -102.22 155.01 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -79.13 107.31 11.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 45.5 t0 -90.32 148.61 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.3 mm? -87.99 -27.03 22.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.306 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.36 -50.83 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -8.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 58.55 56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.122 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CD2' HG13 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -174.0 -177.68 1.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.9 m -82.82 133.54 35.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.449 HG13 ' CD2' ' A' ' 31' ' ' HIS . 3.0 m -145.99 150.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.724 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.05 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.8 m . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.516 0.198 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -38.22 -22.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.502 2.135 . . . . 0.0 112.476 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.5 -56.84 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.62 141.44 43.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.6 m -111.28 168.68 9.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 26' ' ' ASP . 12.7 t80 -73.08 148.02 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 37.2 t0 -146.03 134.84 22.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.8 mt -77.56 -39.15 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -45.0 -48.45 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -28.03 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.5 tpt180 80.26 46.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.741 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.07 -158.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.028 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.12 137.78 34.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -150.12 160.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.68 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 33.5 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.6 m . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.46 0.172 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -37.27 -22.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.542 2.161 . . . . 0.0 112.715 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.09 -56.12 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.32 136.79 44.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.2 m -102.37 160.9 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -64.03 152.27 40.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 48.7 t0 -155.1 129.99 9.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.7 mm? -88.02 -29.36 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -59.57 -13.4 9.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.37 -2.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 34.27 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.967 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -173.0 -175.4 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.869 0.366 . . . . 0.0 111.312 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -84.33 149.0 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.594 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.78 161.88 9.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.529 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 105.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 35.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.8 m . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.424 0.154 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -37.39 -23.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.527 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.15 -57.03 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.22 140.9 38.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.703 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -99.88 156.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.48 148.38 51.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -154.97 118.4 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.27 -27.29 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 1.4 mm? -49.98 -43.47 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 4.4 m -99.81 -11.01 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tpt85 80.05 31.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.41 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -175.09 -176.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -85.34 157.34 20.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.01 159.23 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 107.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 64.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.532 0.206 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -34.78 -35.56 0.11 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.704 2.27 . . . . 0.0 112.693 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -59.01 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.024 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.37 135.69 46.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.0 m -99.68 170.02 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -71.56 151.19 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -154.96 129.3 9.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.8 mp -88.13 -24.36 23.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -49.93 -49.45 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 1.4 m -99.83 -8.45 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.8 tpt180 80.12 24.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.701 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.7 p-80 -163.74 -172.65 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.6 m -82.33 153.84 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.9 m -149.92 160.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.721 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.01 107.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.507 0.194 . . . . 0.0 110.726 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -48.58 -9.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.99 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -86.72 -47.9 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.58 135.8 54.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.698 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.4 m -99.89 171.39 7.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.77 155.6 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -153.43 135.1 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.1 mm? -87.86 -1.08 57.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 4.0 mt -76.13 -47.29 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.693 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -6.49 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' A' ' 28' ' ' LEU . 20.8 mmt-85 65.63 52.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.756 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.96 -151.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.898 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.573 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.9 m -104.96 144.77 31.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.203 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.439 HG13 ' NE2' ' A' ' 31' ' ' HIS . 16.2 m -146.05 154.16 13.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.01 106.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.626 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 22.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.758 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.442 0.163 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.57 -22.48 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.42 -56.29 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -103.62 135.58 44.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.2 m -103.8 174.79 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -74.5 155.23 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 4.0 t0 -154.96 134.78 12.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.78 -38.11 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.734 HD22 ' H ' ' A' ' 28' ' ' LEU . 2.3 mm? -51.09 -16.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 7.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 40.0 54.3 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.706 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -173.63 -172.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.879 179.442 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.6 m -87.53 146.63 25.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.167 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 19.4 m -150.1 155.77 7.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.945 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.23 104.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 11.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 22' ' ' ALA . 1.1 m . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.468 0.175 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -37.16 -24.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.532 2.155 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.63 -57.13 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.73 141.79 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -99.85 154.22 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -79.29 130.65 35.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -119.91 128.02 53.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.8 mp -83.5 -42.58 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -41.71 -46.85 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -26.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.1 tpt85 80.02 53.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.557 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -172.57 179.14 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.958 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.1 m -93.92 149.66 21.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.53 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 32.6 m -150.15 153.73 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 102.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 57.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.979 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.4 m . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.572 0.225 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.82 -23.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.565 2.177 . . . . 0.0 112.439 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.48 -56.51 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 32' ' ' CYS . 7.7 pt-20 -119.23 139.43 51.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 89.3 m -99.89 158.97 15.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.38 160.45 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -154.98 133.43 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.762 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -88.06 -24.45 23.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 3.4 mp -54.5 -60.52 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -99.85 2.04 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 57.07 60.12 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.473 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.702 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -168.09 -142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.718 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.702 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 32.4 m -125.98 116.56 21.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.889 0.376 . . . . 0.0 111.321 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG12 ' NE2' ' A' ' 31' ' ' HIS . 14.3 m -106.39 165.62 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.617 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 114.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 84.0 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.7 m . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.411 0.148 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -38.89 -25.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.436 2.091 . . . . 0.0 112.43 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -67.65 -53.68 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -128.87 140.71 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.596 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 90.2 m -99.85 150.97 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.767 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.31 146.36 15.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -154.98 126.36 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 29' ' ' VAL . 27.2 mt -85.44 -35.82 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.47 -10.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' LEU . 14.3 m -140.04 4.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 111.402 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.23 34.66 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.844 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -173.56 178.12 2.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.124 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.68 152.27 28.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.373 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -141.12 166.69 17.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.27 108.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.1 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.8 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.469 0.175 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.96 -21.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.563 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.62 -56.54 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -104.14 134.95 46.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.3 m -99.98 169.7 9.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -77.79 150.68 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -154.33 135.49 13.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.6 mm? -87.99 -20.45 25.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.9 mp -52.27 -51.48 58.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 3.5 m -99.71 -14.46 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 6.3 tpt180 80.25 37.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.872 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -174.63 -173.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.1 m -75.87 148.99 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.504 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -150.08 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.738 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.42 106.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.7 m . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.46 0.171 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -37.59 -23.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.442 2.094 . . . . 0.0 112.486 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.36 -56.88 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -104.36 132.63 50.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -101.24 164.12 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.819 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -80.6 153.88 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -149.89 136.89 19.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.0 mp -80.82 -36.69 31.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -44.56 -50.54 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -99.99 -28.61 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.827 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 80.05 49.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.663 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -178.23 1.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.779 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.2 m -82.62 140.37 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 111.107 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -144.03 151.89 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.806 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.42 100.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.809 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 10.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.553 0.216 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.43 -36.59 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.578 2.185 . . . . 0.0 112.42 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.41 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 6.3 pt-20 -122.66 142.14 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.636 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.9 m -105.39 157.13 17.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.92 143.42 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -152.05 129.38 11.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.4 mp -87.74 -17.67 31.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.8 mm? -61.0 -16.17 40.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 25.1 m -139.92 9.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 111.346 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' HE ' ' C ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER 60.68 35.97 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.0 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 3.9 p-80 -178.21 179.63 0.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 111.37 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.03 153.43 41.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.825 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 m -149.72 172.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.88 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.98 111.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.636 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 87.8 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' GLU . 3.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.503 0.192 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.83 -39.45 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.559 2.172 . . . . 0.0 112.397 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -56.51 20.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' VAL . 8.3 pt-20 -123.11 137.79 54.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.7 m -100.01 156.7 17.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -63.14 148.64 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -153.69 122.24 6.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.2 -12.83 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mp -61.6 -52.26 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -99.71 1.63 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.44 22.72 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.822 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -160.72 -174.81 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 111.26 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.0 m -81.95 154.17 25.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.26 161.24 5.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.58 102.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.034 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.7 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.1 m . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.528 0.204 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.52 -24.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.631 2.221 . . . . 0.0 112.482 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.29 -57.73 3.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.2 143.68 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -99.91 179.56 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.686 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -78.72 159.34 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -155.1 130.43 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.7 mp -88.05 -41.21 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD22 ' H ' ' A' ' 28' ' ' LEU . 2.7 mm? -44.94 -48.72 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -4.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 56.96 54.51 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.561 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.586 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.5 -150.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.586 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 72.6 m -109.83 138.53 46.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.498 HG12 ' NE2' ' A' ' 31' ' ' HIS . 24.8 m -134.43 161.74 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 119.15 4.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 88.9 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.56 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' ALA . 5.6 m . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.484 0.183 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -37.91 -23.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.468 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.2 -57.5 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 7.1 pt-20 -109.88 140.56 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 64.1 m -113.44 172.91 6.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.32 152.97 44.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.91 139.79 17.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -84.68 -36.28 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.56 -14.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -136.91 -30.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER 80.41 46.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.38 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.1 p-80 -172.84 -156.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.015 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -94.05 136.39 34.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.16 167.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.63 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.353 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 61.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.571 0.224 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -36.93 -26.94 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.542 2.161 . . . . 0.0 112.479 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -70.1 -58.94 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.34 135.36 50.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.8 m -99.88 161.48 13.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -74.93 153.15 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -141.04 133.52 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.3 mm? -83.73 -11.09 57.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.11 -59.86 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.74 -11.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.658 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 71.03 60.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.471 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -172.33 -161.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 23.0 m -99.24 146.95 25.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.211 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 24.9 m -146.03 149.26 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.99 99.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 37.0 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.552 0.215 . . . . 0.0 110.643 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -48.33 -8.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.598 2.199 . . . . 0.0 112.105 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -87.25 -43.62 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.775 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.07 144.91 51.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.607 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.654 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.5 m -99.93 155.97 17.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.945 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.43 113.03 9.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.794 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -101.58 120.22 39.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.1 mm? -84.24 -5.22 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.35 -53.92 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.92 5.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 59.42 51.64 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.929 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.503 ' NE2' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -173.91 177.94 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 179.157 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.503 HG12 ' NE2' ' A' ' 31' ' ' HIS . 33.6 m -134.21 157.5 41.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.64 107.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 67.2 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.3 m . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.472 0.177 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -38.07 -21.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.571 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.22 -56.27 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -105.12 135.03 47.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 75.5 m -99.86 163.56 12.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -74.76 148.21 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.734 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.548 ' HB3' HG22 ' A' ' 29' ' ' VAL . 4.5 t0 -151.03 131.88 14.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.4 mp -87.99 -8.55 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -81.62 -11.05 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.672 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 18.3 m -125.59 -15.71 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.045 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 74.17 30.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 16.1 p-80 -177.52 -172.63 0.38 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.86 0.362 . . . . 0.0 111.155 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.1 m -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.27 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG13 HG21 ' A' ' 29' ' ' VAL . 9.5 m -146.17 163.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 113.23 1.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 17.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.2 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.461 0.172 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -37.94 -22.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.505 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.9 -56.73 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.58 135.9 47.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.61 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -99.95 179.99 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -76.87 159.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.08 124.61 6.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.08 9.78 21.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.35 -53.11 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.992 0.425 . . . . 0.0 110.783 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.72 0.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.705 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.71 55.76 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.81 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -176.23 -153.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.629 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.1 m -106.23 140.82 38.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.476 HG12 ' NE2' ' A' ' 31' ' ' HIS . 29.5 m -137.76 161.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 107.31 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 34.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 19' ' ' CYS . 59.6 Cg_endo -71.04 -163.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 0.0 112.095 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 18' ' ' PRO . 34.1 m -58.46 -146.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.9 m -152.81 149.43 22.17 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -37.64 -24.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.498 2.132 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.4 -57.64 3.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -108.78 134.23 51.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.721 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 97.8 m -102.22 155.01 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -79.13 107.31 11.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 45.5 t0 -90.32 148.61 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.61 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.3 mm? -87.99 -27.03 22.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.306 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.36 -50.83 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.171 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.93 -8.55 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 58.55 56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.122 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CD2' HG13 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -174.0 -177.68 1.38 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.9 m -82.82 133.54 35.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.362 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.449 HG13 ' CD2' ' A' ' 31' ' ' HIS . 3.0 m -145.99 150.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.724 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.05 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m -39.85 115.77 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.41 -42.44 2.23 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.6 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.6 mt 56.26 17.0 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -139.82 170.04 16.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -84.19 125.38 32.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.8 m 62.52 131.11 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.19 -95.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.238 1.959 . . . . 0.0 112.223 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.532 0.206 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -38.69 155.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.466 2.111 . . . . 0.0 112.535 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.2 m -69.22 -145.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' ALA . 4.8 m -151.99 149.3 23.16 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.802 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -38.22 -22.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.502 2.135 . . . . 0.0 112.476 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.5 -56.84 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.62 141.44 43.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.6 m -111.28 168.68 9.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 26' ' ' ASP . 12.7 t80 -73.08 148.02 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 27' ' ' LEU . 37.2 t0 -146.03 134.84 22.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.8 mt -77.56 -39.15 46.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.085 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -45.0 -48.45 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -28.03 3.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.5 tpt180 80.26 46.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.741 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.07 -158.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.028 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.0 m -96.12 137.78 34.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 111.217 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -150.12 160.06 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.68 103.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.592 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 33.5 m -42.83 99.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 132.8 -64.26 0.61 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.3 mt 54.95 58.35 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.926 0.393 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.617 ' CD1' ' H ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -140.0 -157.18 0.74 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.697 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.617 ' H ' ' CD1' ' A' ' 38' ' ' LEU . 7.9 tpp85 -60.99 -62.23 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.1 m -160.57 68.18 2.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.15 169.54 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.768 2.312 . . . . 0.0 112.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.931 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.858 0.361 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -72.82 124.81 9.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.749 2.3 . . . . 0.0 112.166 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.85 -157.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.6 m -153.92 151.39 24.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -37.27 -22.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.542 2.161 . . . . 0.0 112.715 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.09 -56.12 4.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.32 136.79 44.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.2 m -102.37 160.9 14.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -64.03 152.27 40.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 48.7 t0 -155.1 129.99 9.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.7 mm? -88.02 -29.36 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -59.57 -13.4 9.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.37 -2.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 34.27 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.967 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -173.0 -175.4 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.869 0.366 . . . . 0.0 111.312 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -84.33 149.0 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.594 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.78 161.88 9.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.529 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 105.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 35.0 m -40.85 100.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.556 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 128.99 -54.18 0.79 Allowed Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.096 -0.574 . . . . 0.0 112.426 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp 56.82 0.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.05 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 36' ' ' GLY . 41.8 mt -140.21 -161.44 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.675 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -160.29 121.72 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.989 0.423 . . . . 0.0 110.995 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' ARG . 7.9 m 29.55 64.65 0.8 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.685 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.73 100.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.669 2.246 . . . . 0.0 112.264 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HE ' ' C ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.695 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 10.2 t . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 17' ' ' THR . 74.0 Cg_endo -86.21 167.49 9.25 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.929 1.752 . . . . 0.0 112.36 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.81 -156.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.8 m -152.86 151.42 26.43 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.749 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -37.39 -23.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.546 2.164 . . . . 0.0 112.527 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.15 -57.03 4.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -106.22 140.9 38.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.703 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -99.88 156.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.008 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.48 148.38 51.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -154.97 118.4 4.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.27 -27.29 32.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 1.4 mm? -49.98 -43.47 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.695 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 4.4 m -99.81 -11.01 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.804 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.2 tpt85 80.05 31.3 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.41 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -175.09 -176.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -85.34 157.34 20.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.071 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.01 159.23 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' CB ' ' HE ' ' A' ' 39' ' ' ARG . . . -52.2 107.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 64.2 m -45.49 113.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.17 -27.06 6.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.519 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp 56.75 60.28 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.334 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mp -99.63 -29.45 12.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.979 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' HE ' ' CB ' ' A' ' 34' ' ' ALA . 1.1 mpp_? -48.31 -51.29 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.7 p 50.74 57.63 17.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.75 109.13 2.72 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.665 2.244 . . . . 0.0 112.223 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.927 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -72.82 -93.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.527 0.175 0 C-N-CA 122.802 2.335 . . . . 0.0 112.159 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.87 -158.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.721 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -152.72 151.57 26.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -34.78 -35.56 0.11 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.704 2.27 . . . . 0.0 112.693 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -59.01 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.024 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.37 135.69 46.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.0 m -99.68 170.02 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.031 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -71.56 151.19 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -154.96 129.3 9.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.991 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.8 mp -88.13 -24.36 23.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 mt -49.93 -49.45 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 1.4 m -99.83 -8.45 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.8 tpt180 80.12 24.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.701 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.7 p-80 -163.74 -172.65 2.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 111.065 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.6 m -82.33 153.84 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.409 . . . . 0.0 111.45 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.9 m -149.92 160.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.721 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . -49.01 107.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.863 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.2 m -39.98 122.44 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.501 ' C ' HD12 ' A' ' 37' ' ' LEU . . . 84.49 -33.14 3.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.35 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 37' ' ' LEU . 2.8 mp 54.56 19.5 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 111.001 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 36' ' ' GLY . 3.2 mm? -99.7 118.51 36.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttp180 -171.99 116.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 p -117.61 88.19 28.63 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -52.06 142.79 43.28 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.59 2.193 . . . . 0.0 112.382 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.869 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.543 0.211 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -38.59 112.35 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.557 2.171 . . . . 0.0 112.431 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.8 m -76.1 -146.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -152.89 156.15 32.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -48.58 -9.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.561 2.174 . . . . 0.0 111.99 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -86.72 -47.9 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -121.58 135.8 54.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.698 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.4 m -99.89 171.39 7.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -76.77 155.6 33.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -153.43 135.1 14.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.1 mm? -87.86 -1.08 57.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 4.0 mt -76.13 -47.29 24.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.693 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -6.49 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.992 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' A' ' 28' ' ' LEU . 20.8 mmt-85 65.63 52.21 1.36 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.756 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.96 -151.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.898 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.573 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.9 m -104.96 144.77 31.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.203 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.439 HG13 ' NE2' ' A' ' 31' ' ' HIS . 16.2 m -146.05 154.16 13.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.964 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.01 106.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.626 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 22.3 m -46.58 99.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.758 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.82 -60.28 0.53 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt 42.96 51.13 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.63 HD13 ' H ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -99.9 -103.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.63 ' H ' HD13 ' A' ' 38' ' ' LEU . 57.8 ttt180 -172.5 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.735 0.303 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 47.2 m -159.77 96.21 1.59 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -83.39 -44.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.47 2.113 . . . . 0.0 112.383 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.697 0.284 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.03 -57.39 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.571 2.181 . . . . 0.0 112.145 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.67 -158.27 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.3 m -154.47 152.08 25.3 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.57 -22.48 0.05 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.42 -56.29 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -103.62 135.58 44.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.684 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.2 m -103.8 174.79 5.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -74.5 155.23 38.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 28' ' ' LEU . 4.0 t0 -154.96 134.78 12.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -86.78 -38.11 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.734 HD22 ' H ' ' A' ' 28' ' ' LEU . 2.3 mm? -51.09 -16.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 7.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.03 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 40.0 54.3 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.706 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -173.63 -172.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.879 179.442 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.6 m -87.53 146.63 25.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 111.167 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 19.4 m -150.1 155.77 7.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.945 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.23 104.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 11.0 m -42.92 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.69 -47.97 0.95 Allowed Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD11 HG21 ' A' ' 33' ' ' VAL . 15.3 mt 44.36 41.41 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.5 tp -99.95 97.57 8.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HG3' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -40.08 121.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.7 p -79.02 145.16 64.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -40.36 151.05 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.341 2.028 . . . . 0.0 112.4 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.918 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 19' ' ' CYS . 1.4 t . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.922 0.391 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.77 -6.65 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.773 2.315 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' H ' ' C ' ' A' ' 17' ' ' THR . 32.2 m -70.6 -155.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 22' ' ' ALA . 1.1 m -152.35 152.73 29.75 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.662 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -37.16 -24.51 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.532 2.155 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.63 -57.13 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.73 141.79 36.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.595 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -99.85 154.22 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -79.29 130.65 35.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -119.91 128.02 53.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.8 mp -83.5 -42.58 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -41.71 -46.85 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -99.91 -26.38 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 3.1 tpt85 80.02 53.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.557 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -172.57 179.14 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.958 179.433 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.1 m -93.92 149.66 21.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.53 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 32.6 m -150.15 153.73 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.657 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -55.4 102.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.595 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 57.9 m -39.98 99.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.979 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.518 ' O ' HD22 ' A' ' 38' ' ' LEU . . . 140.68 -69.53 0.46 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.528 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 34' ' ' ALA . 5.8 mp 53.32 10.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.813 0.34 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' O ' ' A' ' 36' ' ' GLY . 1.4 pt? -140.1 129.35 23.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.29 41.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.787 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.45 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 7.1 p 48.06 52.06 11.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 40' ' ' THR . 57.1 Cg_endo -69.86 -54.37 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.813 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.501 0.191 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -39.81 98.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.459 2.106 . . . . 0.0 112.436 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.6 m -65.76 -145.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.4 m -151.48 150.11 25.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -37.82 -23.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.565 2.177 . . . . 0.0 112.439 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -71.48 -56.51 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 32' ' ' CYS . 7.7 pt-20 -119.23 139.43 51.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 89.3 m -99.89 158.97 15.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -57.38 160.45 4.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -154.98 133.43 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.762 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -88.06 -24.45 23.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 3.4 mp -54.5 -60.52 3.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -99.85 2.04 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? 57.07 60.12 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.473 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.702 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -168.09 -142.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.718 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.702 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 32.4 m -125.98 116.56 21.65 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.889 0.376 . . . . 0.0 111.321 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG12 ' NE2' ' A' ' 31' ' ' HIS . 14.3 m -106.39 165.62 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.617 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 114.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.719 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.601 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 84.0 m -47.18 117.51 1.76 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 -8.28 0.99 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 35' ' ' CYS . 6.1 mp 56.25 20.15 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.773 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.9 tp -140.15 101.31 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.714 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -39.53 134.55 1.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 t -127.6 68.51 74.29 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.82 90.9 1.22 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.598 2.199 . . . . 0.0 112.287 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.839 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.683 0.278 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.74 -91.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.575 2.184 . . . . 0.0 112.164 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.3 m -78.11 -143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.7 m -136.83 150.9 71.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -38.89 -25.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.436 2.091 . . . . 0.0 112.43 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -67.65 -53.68 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -128.87 140.71 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.596 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 90.2 m -99.85 150.97 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.767 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -54.31 146.36 15.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -154.98 126.36 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 29' ' ' VAL . 27.2 mt -85.44 -35.82 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.47 -10.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' LEU . 14.3 m -140.04 4.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 0.0 111.402 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.23 34.66 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.844 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.0 p-80 -173.56 178.12 2.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.124 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.68 152.27 28.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.373 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -141.12 166.69 17.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.83 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.27 108.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.1 m -48.28 113.07 0.67 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.76 -15.77 7.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 mt 55.98 39.85 30.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.67 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 38' ' ' LEU . 4.2 tt -99.95 -67.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.76 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' O ' ' OG1' ' A' ' 40' ' ' THR . 18.0 tpp85 -83.76 142.62 30.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 39' ' ' ARG . 16.1 p 52.25 56.02 15.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.42 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.663 2.242 . . . . 0.0 112.201 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.859 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.644 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.6 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.542 0.21 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.2 Cg_exo -56.95 -29.86 83.96 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.454 2.102 . . . . 0.0 112.308 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 m -77.79 -157.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.8 m -153.89 151.63 25.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.651 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.96 -21.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.563 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.62 -56.54 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -104.14 134.95 46.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.69 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.3 m -99.98 169.7 9.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -77.79 150.68 34.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -154.33 135.49 13.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.6 mm? -87.99 -20.45 25.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.9 mp -52.27 -51.48 58.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 3.5 m -99.71 -14.46 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 6.3 tpt180 80.25 37.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.872 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -174.63 -173.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.223 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.1 m -75.87 148.99 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.504 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.8 m -150.08 158.12 5.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.738 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.42 106.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 56.6 m -41.89 125.52 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.72 -30.35 3.52 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.385 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp 50.08 22.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.06 49.96 1.74 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -60.3 175.85 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -43.57 146.19 0.99 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.25 124.52 0.49 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.441 2.094 . . . . 0.0 112.374 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.959 -179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.58 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.601 0.238 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 17' ' ' THR . 82.4 Cg_endo -88.3 -162.18 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.777 2.318 . . . . 0.0 112.362 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.98 -152.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.7 m -155.12 150.36 20.96 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -37.59 -23.58 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.442 2.094 . . . . 0.0 112.486 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.36 -56.88 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.932 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -104.36 132.63 50.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -101.24 164.12 11.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.819 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -80.6 153.88 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -149.89 136.89 19.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.0 mp -80.82 -36.69 31.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 1.6 mm? -44.56 -50.54 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -99.99 -28.61 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.827 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER 80.05 49.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.663 179.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -173.39 -178.23 1.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.779 179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 9.2 m -82.62 140.37 33.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 111.107 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.403 ' CG2' HD21 ' A' ' 37' ' ' LEU . 29.7 m -144.03 151.89 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.806 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -53.42 100.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 10.8 m -39.77 99.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.05 -61.81 0.54 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.434 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 34' ' ' ALA . 1.4 mm? 42.41 57.41 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.33 . . . . 0.0 110.787 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 38' ' ' LEU . 1.9 pt? -140.07 40.47 1.96 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mtm-85 -135.12 -81.26 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.2 m -158.84 55.31 0.8 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.66 -88.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.14 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.632 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.556 0.217 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.2 Cg_exo -56.15 -42.65 64.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.434 2.089 . . . . 0.0 112.22 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.2 m -67.21 -144.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.46 149.84 65.91 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -37.43 -36.59 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.578 2.185 . . . . 0.0 112.42 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.41 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 6.3 pt-20 -122.66 142.14 50.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.636 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 70.9 m -105.39 157.13 17.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.92 143.42 31.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -152.05 129.38 11.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.4 mp -87.74 -17.67 31.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.8 mm? -61.0 -16.17 40.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 25.1 m -139.92 9.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 111.346 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' HE ' ' C ' ' A' ' 29' ' ' VAL . 0.7 OUTLIER 60.68 35.97 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.0 179.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 3.9 p-80 -178.21 179.63 0.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 111.37 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 m -72.03 153.43 41.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.825 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.534 HG21 HD11 ' A' ' 37' ' ' LEU . 11.5 m -149.72 172.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.88 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.98 111.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.636 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 87.8 m -54.52 99.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.7 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.98 -70.91 0.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.573 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD11 HG21 ' A' ' 33' ' ' VAL . 7.4 mt 56.49 58.95 3.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.548 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.0 mt -140.05 -91.97 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.279 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.8 tpp180 -71.21 104.55 3.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.391 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 39' ' ' ARG . 33.7 p 28.9 70.28 0.53 Allowed Pre-proline 0 N--CA 1.462 0.169 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.702 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 42' ' ' ARG . 31.9 Cg_exo -60.0 95.7 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.918 2.412 . . . . 0.0 112.388 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PRO . 23.4 ptt180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.22 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.67 0.271 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 73.7 Cg_endo -72.62 -94.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.635 2.224 . . . . 0.0 112.257 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 39.6 m -158.44 -143.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 23' ' ' GLU . 3.7 m -126.39 149.71 68.22 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -37.83 -39.45 0.83 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.559 2.172 . . . . 0.0 112.397 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.81 -56.51 20.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' VAL . 8.3 pt-20 -123.11 137.79 54.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.585 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 80.7 m -100.01 156.7 17.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -63.14 148.64 47.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -153.69 122.24 6.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -79.2 -12.83 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mp -61.6 -52.26 65.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.708 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -99.71 1.63 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 69.44 22.72 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.822 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.8 p-80 -160.72 -174.81 4.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 111.26 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.0 m -81.95 154.17 25.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.39 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.26 161.24 5.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.58 102.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.034 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 77.7 m -40.11 99.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.93 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 38' ' ' LEU . . . 156.33 -78.96 0.19 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.527 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 44.19 17.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' GLY . 14.4 tp -99.9 -1.35 37.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.491 ' NH2' HH21 ' A' ' 42' ' ' ARG . 4.8 ptm180 -73.71 37.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -42.04 -64.08 0.75 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 40' ' ' THR . 35.1 Cg_endo -63.2 159.77 37.71 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.545 2.163 . . . . 0.0 112.193 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.491 HH21 ' NH2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.696 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.6 t . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 17' ' ' THR . 73.3 Cg_exo -50.05 153.3 6.64 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 121.765 1.643 . . . . 0.0 112.374 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' O ' ' O ' ' A' ' 18' ' ' PRO . 29.9 m -59.6 -145.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' ALA . 3.1 m -136.03 150.32 70.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -37.52 -24.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.631 2.221 . . . . 0.0 112.482 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -73.29 -57.73 3.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -115.2 143.68 44.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.718 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.604 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -99.91 179.56 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.686 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -78.72 159.34 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -155.1 130.43 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.7 mp -88.05 -41.21 13.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD22 ' H ' ' A' ' 28' ' ' LEU . 2.7 mm? -44.94 -48.72 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -4.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? 56.96 54.51 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.561 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.586 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -173.5 -150.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.679 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.586 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 72.6 m -109.83 138.53 46.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.875 0.369 . . . . 0.0 111.159 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.498 HG12 ' NE2' ' A' ' 31' ' ' HIS . 24.8 m -134.43 161.74 40.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.2 119.15 4.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.768 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.604 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 88.9 m -53.05 99.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.56 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.62 -24.46 12.13 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.027 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.4 mt 56.35 48.01 17.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 111.039 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.3 mt -100.57 50.22 0.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.716 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.1 mtp85 -146.02 -134.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -110.97 87.57 7.16 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -78.64 172.12 15.64 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.289 1.993 . . . . 0.0 112.373 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.892 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 19' ' ' CYS . 16.7 p . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.533 0.206 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.4 26.41 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.478 2.119 . . . . 0.0 112.381 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.478 ' H ' ' C ' ' A' ' 17' ' ' THR . 21.2 m -69.3 -145.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 22' ' ' ALA . 5.6 m -153.11 148.9 20.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -37.91 -23.11 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.544 2.163 . . . . 0.0 112.468 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -75.2 -57.5 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' SG ' ' A' ' 35' ' ' CYS . 7.1 pt-20 -109.88 140.56 43.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 64.1 m -113.44 172.91 6.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -68.32 152.97 44.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -154.91 139.79 17.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -84.68 -36.28 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -50.56 -14.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -136.91 -30.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.209 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 29' ' ' VAL . 1.0 OUTLIER 80.41 46.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.38 179.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 1.1 p-80 -172.84 -156.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.015 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.8 m -94.05 136.39 34.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -150.16 167.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.662 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -48.63 104.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.353 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 61.5 m -43.73 99.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 129.46 -49.62 0.92 Allowed Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.591 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 34' ' ' ALA . 4.3 mm? 58.4 -0.08 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.739 0.304 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' A' ' 36' ' ' GLY . 7.2 mp -116.03 17.9 15.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -65.41 5.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 42' ' ' ARG . 6.7 m -160.89 77.39 2.46 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.046 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -46.85 82.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.726 2.284 . . . . 0.0 112.397 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 40' ' ' THR . 11.2 tpt180 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.643 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.6 m . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.509 0.195 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 17' ' ' THR . 49.7 Cg_exo -56.73 -65.39 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.388 2.059 . . . . 0.0 112.244 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.8 m -98.04 -147.09 0.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.9 m -151.85 150.32 25.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -36.93 -26.94 0.06 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.542 2.161 . . . . 0.0 112.479 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -70.1 -58.94 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -109.34 135.36 50.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.638 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 81.8 m -99.88 161.48 13.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.831 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -74.93 153.15 38.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -141.04 133.52 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.3 mm? -83.73 -11.09 57.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 mt -66.11 -59.86 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.74 -11.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.658 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 71.03 60.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.471 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' NE2' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -172.33 -161.03 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.818 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 23.0 m -99.24 146.95 25.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.211 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG1' ' NE2' ' A' ' 31' ' ' HIS . 24.9 m -146.03 149.26 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.0 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -51.99 99.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.974 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 37.0 m -39.98 99.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.66 -54.77 0.78 Allowed Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.253 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 34' ' ' ALA . 5.9 mp 54.12 60.3 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.69 0.281 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mp -99.64 -135.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.7 ttp-105 -40.68 -70.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 t -170.48 76.02 0.6 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -49.3 -58.38 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.86 2.373 . . . . 0.0 112.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.946 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.855 0.36 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.35 127.2 12.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.765 2.31 . . . . 0.0 112.202 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 m -75.95 -144.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -150.86 156.2 35.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.643 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -48.33 -8.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.598 2.199 . . . . 0.0 112.105 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -87.25 -43.62 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.775 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -128.07 144.91 51.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.607 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 74.5 m -99.93 155.97 17.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.945 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.43 113.03 9.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.794 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -101.58 120.22 39.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 27' ' ' LEU . 2.1 mm? -84.24 -5.22 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.35 -53.92 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.92 5.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 59.42 51.64 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.929 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.503 ' NE2' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -173.91 177.94 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.745 179.157 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 38.4 m -87.25 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.503 HG12 ' NE2' ' A' ' 31' ' ' HIS . 33.6 m -134.21 157.5 41.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.863 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.64 107.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 67.2 m -48.99 99.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 149.39 -69.48 0.33 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 mp 51.08 9.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 0.0 110.732 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' GLY . 16.0 tp -109.64 166.64 10.74 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.654 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -90.77 99.24 12.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 178.47 -49.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.181 179.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 40' ' ' THR . 78.4 Cg_exo -51.14 165.74 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.543 2.162 . . . . 0.0 112.38 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.891 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.928 0.394 . . . . 0.0 111.156 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 78.0 Cg_exo -48.75 -8.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.622 2.215 . . . . 0.0 112.427 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' H ' ' C ' ' A' ' 17' ' ' THR . 5.0 m -136.36 -153.52 0.5 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.3 m -154.93 150.29 21.07 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.629 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -38.07 -21.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.571 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -78.22 -56.27 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.082 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -105.12 135.03 47.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 75.5 m -99.86 163.56 12.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -74.76 148.21 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.734 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.548 ' HB3' HG22 ' A' ' 29' ' ' VAL . 4.5 t0 -151.03 131.88 14.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.4 mp -87.99 -8.55 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -81.62 -11.05 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.672 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 31' ' ' HIS . 18.3 m -125.59 -15.71 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.045 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 74.17 30.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' O ' ' A' ' 29' ' ' VAL . 16.1 p-80 -177.52 -172.63 0.38 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.86 0.362 . . . . 0.0 111.155 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 18' ' ' PRO . 10.1 m -83.37 146.73 28.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.27 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG13 HG21 ' A' ' 29' ' ' VAL . 9.5 m -146.17 163.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 113.23 1.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 17.8 m -52.01 99.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.56 -28.35 7.87 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.175 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.5 mp 56.45 60.23 3.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.899 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.67 -102.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -95.31 92.44 6.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.44 155.2 29.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.755 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.3 -28.93 86.33 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.709 2.272 . . . . 0.0 112.442 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.925 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.615 0.245 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.45 -170.52 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.173 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 m -71.42 -150.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' ALA . 6.2 m -154.03 149.69 21.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -37.94 -22.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.505 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -76.9 -56.73 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.036 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.58 135.9 47.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.61 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 79.5 m -99.95 179.99 4.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -76.87 159.66 29.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.025 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.08 124.61 6.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.08 9.78 21.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -91.35 -53.11 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.992 0.425 . . . . 0.0 110.783 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.72 0.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.705 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.71 55.76 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.81 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -176.23 -153.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.629 ' N ' ' CG ' ' A' ' 31' ' ' HIS . 22.1 m -106.23 140.82 38.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.476 HG12 ' NE2' ' A' ' 31' ' ' HIS . 29.5 m -137.76 161.55 33.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.33 107.31 0.47 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.61 ' SG ' ' N ' ' A' ' 24' ' ' CYS . 34.5 m -43.63 99.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 38' ' ' LEU . . . 140.48 -75.25 0.35 Allowed Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD11 HG21 ' A' ' 33' ' ' VAL . 86.2 mt 56.9 1.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 36' ' ' GLY . 17.7 tp -101.19 -72.85 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' THR . 32.3 mmm-85 -148.33 -168.57 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.67 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.7 t 34.77 64.9 1.72 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.419 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.97 95.85 0.67 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.54 2.16 . . . . 0.0 112.191 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.892 179.983 . . . . . . . . 0 0 . 1 stop_ save_