data_1hd9_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 1hd9 _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 ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 57.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' HD12 ' A' ' 6' ' ' ILE . 72.7 p -110.58 160.75 16.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' ' 5' ' ' SER . 51.1 mm -127.39 107.16 21.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.21 154.23 98.28 Favored 'Cis proline' 0 C--N 1.343 0.251 0 C-N-CA 123.063 -1.64 . . . . 0.0 112.404 0.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.52 141.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.6 159.61 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.794 0.33 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.3 57.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -121.79 163.26 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 mt -124.61 110.96 27.88 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.65 150.42 95.47 Favored 'Cis proline' 0 C--N 1.343 0.267 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.378 0.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.61 134.82 22.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.288 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.64 155.37 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 64.78 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -112.62 163.46 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.485 HD11 HG22 ' A' ' 6' ' ' ILE . 72.9 mt -125.12 102.64 30.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 63.4 Cg_endo -73.8 172.94 58.72 Favored 'Cis proline' 0 C--N 1.342 0.237 0 C-N-CA 122.969 -1.679 . . . . 0.0 112.325 0.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 7' ' ' PRO . 57.3 Cg_endo -71.18 142.89 42.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -122.29 133.45 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.27 60.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 3' ' ' THR . 89.2 p -110.45 162.83 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 mt -121.84 105.95 37.38 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.02 164.15 88.5 Favored 'Cis proline' 0 C--N 1.343 0.246 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.442 -0.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.04 133.2 17.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.776 2.317 . . . . 0.0 112.216 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.35 158.07 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.853 0.359 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 59.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 p -140.89 163.88 31.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 mt -111.93 121.83 38.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.51 150.38 90.63 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.192 -1.587 . . . . 0.0 112.33 0.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 121.78 7.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.245 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.98 158.98 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 60.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.9 p -117.14 155.94 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mt -126.66 107.75 23.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.73 152.23 97.66 Favored 'Cis proline' 0 C--N 1.344 0.325 0 C-N-CA 123.071 -1.637 . . . . 0.0 112.39 0.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.29 143.28 76.71 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.763 2.309 . . . . 0.0 112.239 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -129.31 133.46 47.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.41 56.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -124.21 165.02 18.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 6' ' ' ILE . 35.1 mm -122.34 116.15 29.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.194 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.91 157.99 98.21 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.113 -1.619 . . . . 0.0 112.393 0.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 134.02 27.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.289 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -127.16 158.4 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.3 59.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -118.12 163.64 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.25 112.21 28.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.48 152.73 96.23 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.331 0.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.85 129.32 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -130.44 153.72 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.3 58.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -110.77 163.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 6' ' ' ILE . 1.2 mm -126.47 107.18 23.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.8 Cg_endo -76.24 155.59 98.4 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 123.153 -1.603 . . . . 0.0 112.418 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 132.52 20.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.147 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.98 159.76 33.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.72 0.295 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 64.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 3' ' ' THR . 12.6 p -144.07 151.02 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.42 120.46 42.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.74 150.71 94.78 Favored 'Cis proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 -1.625 . . . . 0.0 112.333 0.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.74 145.14 74.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.176 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -128.66 127.6 42.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 179.839 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 5' ' ' SER . 11.1 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 60.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 3' ' ' THR . 91.4 p -119.93 164.08 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 17.4 mm -119.03 108.58 40.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.1 Cg_endo -76.04 156.61 98.66 Favored 'Cis proline' 0 C--N 1.344 0.309 0 C-N-CA 122.998 -1.667 . . . . 0.0 112.471 -0.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.62 134.03 21.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.774 2.316 . . . . 0.0 112.255 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -131.57 159.95 36.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.783 0.325 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.09 53.52 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' PRO . 58.1 p -102.2 164.48 11.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.68 104.42 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.38 156.76 99.45 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 123.104 -1.623 . . . . 0.0 112.373 0.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 52.9 Cg_exo -54.48 145.18 58.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.784 2.322 . . . . 0.0 112.212 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.68 139.35 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 59.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.28 163.29 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.9 mt -127.2 104.17 22.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.3 Cg_endo -74.63 153.95 99.42 Favored 'Cis proline' 0 C--N 1.343 0.247 0 C-N-CA 123.04 -1.65 . . . . 0.0 112.385 0.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.1 144.49 94.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.788 2.326 . . . . 0.0 112.228 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 116.13 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.96 57.19 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -128.94 162.92 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -116.65 120.48 34.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.3 152.18 93.83 Favored 'Cis proline' 0 C--N 1.344 0.296 0 C-N-CA 123.121 -1.616 . . . . 0.0 112.324 0.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -56.37 129.32 34.15 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.731 2.287 . . . . 0.0 112.177 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.08 158.41 39.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.954 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.64 57.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -117.44 163.36 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.416 HG23 HD11 ' A' ' 6' ' ' ILE . 66.5 mt -126.04 110.29 24.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.4 150.51 94.95 Favored 'Cis proline' 0 C--N 1.344 0.295 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.381 -0.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.73 135.88 26.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.59 158.57 38.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.89 57.89 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 53.9 p -145.66 157.0 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.5 mt -113.0 124.94 30.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 148.38 87.11 Favored 'Cis proline' 0 C--N 1.344 0.333 0 C-N-CA 123.127 -1.614 . . . . 0.0 112.289 0.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 5' ' ' SER . 61.4 Cg_endo -73.53 132.93 18.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.772 2.315 . . . . 0.0 112.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.54 151.52 49.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 5' ' ' SER . 12.4 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.23 60.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' THR . 77.5 p -118.68 162.09 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 mp -128.69 111.95 19.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.3 151.71 96.81 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 123.094 -1.627 . . . . 0.0 112.357 0.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 131.95 20.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.68 158.96 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.37 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 63.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 18.0 p -138.13 158.28 44.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.67 121.05 28.43 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.87 148.78 85.29 Favored 'Cis proline' 0 C--N 1.344 0.336 0 C-N-CA 123.154 -1.602 . . . . 0.0 112.211 0.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' SER . 63.6 Cg_endo -73.87 133.73 18.82 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.454 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -126.18 148.41 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.3 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 61.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' THR . 5.8 p -129.49 151.92 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.28 118.45 27.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 54.8 Cg_endo -69.82 150.22 89.96 Favored 'Cis proline' 0 C--N 1.344 0.337 0 C-N-CA 123.082 -1.632 . . . . 0.0 112.337 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 5' ' ' SER . 39.6 Cg_exo -60.07 144.6 99.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.787 2.324 . . . . 0.0 112.202 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.456 ' OE1' ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -132.97 143.32 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.51 65.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' THR . 23.3 p -138.97 162.4 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.9 mt -125.26 114.95 25.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 149.45 90.86 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.344 0.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.99 140.93 39.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.302 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -115.29 132.88 56.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.26 63.53 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -141.03 153.91 45.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mm -113.59 120.82 38.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.85 149.95 94.68 Favored 'Cis proline' 0 C--N 1.345 0.368 0 C-N-CA 123.116 -1.618 . . . . 0.0 112.284 0.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.68 129.14 19.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.226 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -114.09 142.75 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.912 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.43 ' OG1' ' OG ' ' A' ' 5' ' ' SER . 30.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.9 56.85 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' OG1' ' A' ' 3' ' ' THR . 1.3 p -125.74 163.47 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.8 mm -118.53 117.55 34.33 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.78 152.33 92.53 Favored 'Cis proline' 0 C--N 1.345 0.352 0 C-N-CA 123.245 -1.564 . . . . 0.0 112.447 -0.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.3 132.21 42.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.746 2.297 . . . . 0.0 112.247 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -131.86 149.38 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.44 59.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' THR . 67.5 p -123.2 163.31 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.8 mt -118.73 115.28 35.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.9 Cg_endo -76.99 153.39 96.04 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 123.138 -1.609 . . . . 0.0 112.432 -0.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.81 122.76 9.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.676 2.251 . . . . 0.0 112.239 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -128.1 160.2 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.94 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.405 ' OG1' ' HG3' ' A' ' 9' ' ' GLN . 13.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.74 55.91 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.47 ' OG ' ' HG2' ' A' ' 9' ' ' GLN . 3.0 p -114.06 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -123.94 109.17 29.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.94 152.83 97.22 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.102 -1.624 . . . . 0.0 112.459 -0.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.93 142.69 93.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.274 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -131.2 159.6 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.9 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 63.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 3' ' ' THR . 7.0 p -139.42 154.62 47.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.1 mp -112.89 119.55 42.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.0 152.18 96.32 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.123 -1.615 . . . . 0.0 112.339 0.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.59 133.17 56.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.228 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -115.84 137.49 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.971 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.24 62.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p -120.92 163.55 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 2.6 mm -126.22 107.24 24.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.56 158.52 98.3 Favored 'Cis proline' 0 C--N 1.344 0.298 0 C-N-CA 123.019 -1.659 . . . . 0.0 112.357 0.13 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 143.31 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.172 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.08 141.01 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.976 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.845 0.355 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 60.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' THR . 66.7 p -117.25 163.22 16.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 34.3 mt -127.25 111.28 21.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.6 Cg_endo -77.11 158.03 96.61 Favored 'Cis proline' 0 C--N 1.345 0.35 0 C-N-CA 123.16 -1.6 . . . . 0.0 112.424 -0.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 132.61 21.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.813 2.342 . . . . 0.0 112.264 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.24 146.86 47.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.97 179.885 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 5' ' ' SER . 29.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.82 61.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 3' ' ' THR . 81.2 p -120.4 164.37 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.28 106.3 24.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.45 156.67 99.78 Favored 'Cis proline' 0 C--N 1.343 0.263 0 C-N-CA 123.038 -1.651 . . . . 0.0 112.384 0.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.63 135.73 22.33 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.802 2.335 . . . . 0.0 112.239 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -130.84 154.65 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.918 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 58.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 8' ' ' PRO . 89.5 p -103.65 163.24 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 3.4 mp -127.92 103.75 21.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.9 Cg_endo -74.69 152.53 98.34 Favored 'Cis proline' 0 C--N 1.343 0.259 0 C-N-CA 122.994 -1.669 . . . . 0.0 112.346 0.009 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HA ' ' OG ' ' A' ' 5' ' ' SER . 38.1 Cg_exo -57.22 133.76 59.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.752 2.301 . . . . 0.0 112.254 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -130.3 159.19 37.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 5' ' ' SER . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.41 60.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.8 p -111.67 163.31 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.82 105.18 29.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.75 156.27 99.02 Favored 'Cis proline' 0 C--N 1.343 0.248 0 C-N-CA 123.056 -1.643 . . . . 0.0 112.355 0.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.52 139.03 47.71 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.764 2.309 . . . . 0.0 112.182 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 10' ' ' CYS . 41.9 tt0 -132.12 160.73 35.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 9' ' ' GLN . 1.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.99 145.6 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -83.64 159.55 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 57.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' HD12 ' A' ' 6' ' ' ILE . 72.7 p -110.58 160.75 16.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' ' 5' ' ' SER . 51.1 mm -127.39 107.16 21.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.21 154.23 98.28 Favored 'Cis proline' 0 C--N 1.343 0.251 0 C-N-CA 123.063 -1.64 . . . . 0.0 112.404 0.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.52 141.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.6 159.61 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -117.98 144.8 45.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.868 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.417 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 97.6 m -102.31 163.12 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -60.39 149.72 33.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.3 57.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -121.79 163.26 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 mt -124.61 110.96 27.88 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.65 150.42 95.47 Favored 'Cis proline' 0 C--N 1.343 0.267 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.378 0.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.61 134.82 22.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.288 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 18.0 pt20 -130.64 155.37 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 55.3 m -111.48 159.09 18.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 m -102.32 149.5 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.9 p -88.63 162.56 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 64.78 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -112.62 163.46 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.485 HD11 HG22 ' A' ' 6' ' ' ILE . 72.9 mt -125.12 102.64 30.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 63.4 Cg_endo -73.8 172.94 58.72 Favored 'Cis proline' 0 C--N 1.342 0.237 0 C-N-CA 122.969 -1.679 . . . . 0.0 112.325 0.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 7' ' ' PRO . 57.3 Cg_endo -71.18 142.89 42.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -122.29 133.45 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -123.98 133.84 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.925 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.58 162.09 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.4 p -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.27 60.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 3' ' ' THR . 89.2 p -110.45 162.83 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 mt -121.84 105.95 37.38 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.02 164.15 88.5 Favored 'Cis proline' 0 C--N 1.343 0.246 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.442 -0.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.04 133.2 17.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.776 2.317 . . . . 0.0 112.216 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.35 158.07 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.81 158.1 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.936 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.452 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.1 m -103.03 158.79 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.7 p -72.98 155.13 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 59.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 p -140.89 163.88 31.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 mt -111.93 121.83 38.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.51 150.38 90.63 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.192 -1.587 . . . . 0.0 112.33 0.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 121.78 7.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.245 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.98 158.98 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -113.64 66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.888 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HB3' ' C ' ' A' ' 9' ' ' GLN . 61.3 m -99.62 159.76 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.2 p -65.77 156.26 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 60.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.9 p -117.14 155.94 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mt -126.66 107.75 23.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.73 152.23 97.66 Favored 'Cis proline' 0 C--N 1.344 0.325 0 C-N-CA 123.071 -1.637 . . . . 0.0 112.39 0.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.29 143.28 76.71 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.763 2.309 . . . . 0.0 112.239 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.42 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 2.5 tt0 -129.31 133.46 47.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -108.27 119.09 38.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.513 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.2 m -104.16 157.84 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -78.12 149.54 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.41 56.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -124.21 165.02 18.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.462 HD11 HG22 ' A' ' 6' ' ' ILE . 35.1 mm -122.34 116.15 29.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.194 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.91 157.99 98.21 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.113 -1.619 . . . . 0.0 112.393 0.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 134.02 27.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.289 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -127.16 158.4 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -129.95 107.99 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 9' ' ' GLN . 12.0 m -103.3 164.63 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -77.53 152.6 33.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.3 59.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -118.12 163.64 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.25 112.21 28.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.48 152.73 96.23 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.331 0.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.85 129.32 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' C ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 tp60 -130.44 153.72 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.2 m -115.1 168.57 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 2.0 p90 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 m -104.42 152.58 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.783 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p -95.13 154.84 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.3 58.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -110.77 163.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 6' ' ' ILE . 1.2 mm -126.47 107.18 23.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.8 Cg_endo -76.24 155.59 98.4 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 123.153 -1.603 . . . . 0.0 112.418 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 132.52 20.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.147 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.98 159.76 33.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.73 116.57 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 17.6 t80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.511 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -98.05 166.15 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.1 p -67.38 141.49 57.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 64.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 3' ' ' THR . 12.6 p -144.07 151.02 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.42 120.46 42.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.74 150.71 94.78 Favored 'Cis proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 -1.625 . . . . 0.0 112.333 0.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.74 145.14 74.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.176 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.428 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 7.5 mt-30 -128.66 127.6 42.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.511 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.7 m -113.7 101.79 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.31 152.09 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 5' ' ' SER . 11.1 p -69.27 132.31 46.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 60.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 3' ' ' THR . 91.4 p -119.93 164.08 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 17.4 mm -119.03 108.58 40.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.1 Cg_endo -76.04 156.61 98.66 Favored 'Cis proline' 0 C--N 1.344 0.309 0 C-N-CA 122.998 -1.667 . . . . 0.0 112.471 -0.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.62 134.03 21.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.774 2.316 . . . . 0.0 112.255 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -131.57 159.95 36.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.04 142.43 46.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.879 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.5 m -101.52 136.52 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.72 152.42 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.09 53.52 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' PRO . 58.1 p -102.2 164.48 11.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.68 104.42 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.38 156.76 99.45 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 123.104 -1.623 . . . . 0.0 112.373 0.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 52.9 Cg_exo -54.48 145.18 58.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.784 2.322 . . . . 0.0 112.212 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.68 139.35 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.7 m -135.61 105.48 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.886 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -135.16 148.34 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -99.23 138.98 35.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 59.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.28 163.29 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.9 mt -127.2 104.17 22.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.3 Cg_endo -74.63 153.95 99.42 Favored 'Cis proline' 0 C--N 1.343 0.247 0 C-N-CA 123.04 -1.65 . . . . 0.0 112.385 0.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.1 144.49 94.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.788 2.326 . . . . 0.0 112.228 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 116.13 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -116.58 68.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 39.0 m -101.35 156.11 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -63.25 156.94 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.96 57.19 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -128.94 162.92 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -116.65 120.48 34.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.3 152.18 93.83 Favored 'Cis proline' 0 C--N 1.344 0.296 0 C-N-CA 123.121 -1.616 . . . . 0.0 112.324 0.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -56.37 129.32 34.15 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.731 2.287 . . . . 0.0 112.177 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -129.08 158.41 39.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.954 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 9.4 m -124.53 145.92 49.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.902 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.99 165.64 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -89.32 153.38 20.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.64 57.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -117.44 163.36 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.416 HG23 HD11 ' A' ' 6' ' ' ILE . 66.5 mt -126.04 110.29 24.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.4 150.51 94.95 Favored 'Cis proline' 0 C--N 1.344 0.295 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.381 -0.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.73 135.88 26.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.59 158.57 38.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.59 168.68 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.69 161.82 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 p -66.44 156.25 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.89 57.89 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 53.9 p -145.66 157.0 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.5 mt -113.0 124.94 30.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 148.38 87.11 Favored 'Cis proline' 0 C--N 1.344 0.333 0 C-N-CA 123.127 -1.614 . . . . 0.0 112.289 0.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 5' ' ' SER . 61.4 Cg_endo -73.53 132.93 18.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.772 2.315 . . . . 0.0 112.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.54 151.52 49.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.25 128.17 55.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.503 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 51.8 m -103.02 154.3 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 5' ' ' SER . 12.4 p -102.05 155.31 18.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.23 60.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' THR . 77.5 p -118.68 162.09 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 mp -128.69 111.95 19.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.3 151.71 96.81 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 123.094 -1.627 . . . . 0.0 112.357 0.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 131.95 20.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -125.68 158.96 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -123.33 167.35 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.968 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 m -101.11 146.87 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.812 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.0 p -73.68 141.11 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 63.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 18.0 p -138.13 158.28 44.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.67 121.05 28.43 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.87 148.78 85.29 Favored 'Cis proline' 0 C--N 1.344 0.336 0 C-N-CA 123.154 -1.602 . . . . 0.0 112.211 0.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' SER . 63.6 Cg_endo -73.87 133.73 18.82 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.454 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -126.18 148.41 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.51 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 1.8 m -110.98 170.69 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.996 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.515 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 93.6 m -99.07 160.54 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.3 p -79.25 151.9 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 61.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' THR . 5.8 p -129.49 151.92 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.28 118.45 27.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 54.8 Cg_endo -69.82 150.22 89.96 Favored 'Cis proline' 0 C--N 1.344 0.337 0 C-N-CA 123.082 -1.632 . . . . 0.0 112.337 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 5' ' ' SER . 39.6 Cg_exo -60.07 144.6 99.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.787 2.324 . . . . 0.0 112.202 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' OE1' ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -132.97 143.32 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.515 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -124.8 101.8 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.6 m -136.61 163.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.8 OUTLIER -79.01 136.36 37.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.51 65.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' THR . 23.3 p -138.97 162.4 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.9 mt -125.26 114.95 25.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 149.45 90.86 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.344 0.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.99 140.93 39.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.302 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -115.29 132.88 56.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.26 106.95 12.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.874 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -103.28 156.63 17.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -90.86 158.21 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.26 63.53 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -141.03 153.91 45.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mm -113.59 120.82 38.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.85 149.95 94.68 Favored 'Cis proline' 0 C--N 1.345 0.368 0 C-N-CA 123.116 -1.618 . . . . 0.0 112.284 0.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.68 129.14 19.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.226 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.3 pt20 -114.09 142.75 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.92 149.02 39.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.96 179.868 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 74.4 m -100.72 162.83 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.963 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.43 ' OG1' ' OG ' ' A' ' 5' ' ' SER . 30.2 p -64.19 153.61 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.9 56.85 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' OG1' ' A' ' 3' ' ' THR . 1.3 p -125.74 163.47 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.8 mm -118.53 117.55 34.33 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -77.78 152.33 92.53 Favored 'Cis proline' 0 C--N 1.345 0.352 0 C-N-CA 123.245 -1.564 . . . . 0.0 112.447 -0.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.3 132.21 42.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.746 2.297 . . . . 0.0 112.247 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 7.0 tt0 -131.86 149.38 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.17 147.9 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.762 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.447 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.0 m -108.1 162.81 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.6 p -98.0 142.36 29.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.44 59.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' THR . 67.5 p -123.2 163.31 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.8 mt -118.73 115.28 35.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.9 Cg_endo -76.99 153.39 96.04 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 123.138 -1.609 . . . . 0.0 112.432 -0.019 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.81 122.76 9.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.676 2.251 . . . . 0.0 112.239 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -128.1 160.2 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 7.9 m -113.85 150.04 34.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.435 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.67 155.15 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.971 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 ' OG1' ' HG3' ' A' ' 9' ' ' GLN . 13.3 p -66.22 161.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.74 55.91 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.47 ' OG ' ' HG2' ' A' ' 9' ' ' GLN . 3.0 p -114.06 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mm -123.94 109.17 29.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.94 152.83 97.22 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.102 -1.624 . . . . 0.0 112.459 -0.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.93 142.69 93.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.274 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -131.2 159.6 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 2.3 m -126.59 170.21 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.52 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 67.0 m -101.93 156.38 17.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.9 p -60.93 146.02 48.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 63.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 3' ' ' THR . 7.0 p -139.42 154.62 47.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.568 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.1 mp -112.89 119.55 42.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.0 152.18 96.32 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.123 -1.615 . . . . 0.0 112.339 0.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.59 133.17 56.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.228 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 1.1 tt0 -115.84 137.49 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -124.04 170.56 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.512 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 75.8 m -104.99 163.77 12.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 p -74.03 166.42 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.24 62.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.2 p -120.92 163.55 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 2.6 mm -126.22 107.24 24.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.56 158.52 98.3 Favored 'Cis proline' 0 C--N 1.344 0.298 0 C-N-CA 123.019 -1.659 . . . . 0.0 112.357 0.13 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 143.31 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.172 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -123.08 141.01 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -122.15 154.4 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 12.1 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -103.3 156.49 17.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p -113.79 154.25 27.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 60.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' THR . 66.7 p -117.25 163.22 16.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 34.3 mt -127.25 111.28 21.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.6 Cg_endo -77.11 158.03 96.61 Favored 'Cis proline' 0 C--N 1.345 0.35 0 C-N-CA 123.16 -1.6 . . . . 0.0 112.424 -0.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 132.61 21.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.813 2.342 . . . . 0.0 112.264 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -123.24 146.86 47.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.891 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.57 76.37 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.479 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 10' ' ' CYS . 64.1 m -105.07 163.83 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 5' ' ' SER . 29.0 p -64.97 147.07 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.82 61.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 3' ' ' THR . 81.2 p -120.4 164.37 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.28 106.3 24.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.45 156.67 99.78 Favored 'Cis proline' 0 C--N 1.343 0.263 0 C-N-CA 123.038 -1.651 . . . . 0.0 112.384 0.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.63 135.73 22.33 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.802 2.335 . . . . 0.0 112.239 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 50.5 mt-30 -130.84 154.65 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 85.1 m -111.18 130.98 55.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.869 -179.958 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.83 163.91 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p -99.68 154.39 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 58.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 8' ' ' PRO . 89.5 p -103.65 163.24 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 3.4 mp -127.92 103.75 21.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.9 Cg_endo -74.69 152.53 98.34 Favored 'Cis proline' 0 C--N 1.343 0.259 0 C-N-CA 122.994 -1.669 . . . . 0.0 112.346 0.009 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HA ' ' OG ' ' A' ' 5' ' ' SER . 38.1 Cg_exo -57.22 133.76 59.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.752 2.301 . . . . 0.0 112.254 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.432 ' OE1' ' OH ' ' A' ' 11' ' ' TYR . 49.2 tt0 -130.3 159.19 37.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.09 157.47 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.432 ' OH ' ' OE1' ' A' ' 9' ' ' GLN . 44.5 m-85 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' NLE . . . . . 0.485 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 99.0 m -101.93 156.67 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 5' ' ' SER . 17.6 p -73.36 147.08 44.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.41 60.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.8 p -111.67 163.31 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mt -124.82 105.18 29.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.75 156.27 99.02 Favored 'Cis proline' 0 C--N 1.343 0.248 0 C-N-CA 123.056 -1.643 . . . . 0.0 112.355 0.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.52 139.03 47.71 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.764 2.309 . . . . 0.0 112.182 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 tt0 -132.12 160.73 35.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -122.25 104.94 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 57.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' HD13 ' A' ' 6' ' ' ILE . 72.7 p -110.58 160.75 16.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 5' ' ' SER . 51.1 mm -127.39 107.16 21.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 59.5 Cg_endo -72.21 154.23 98.28 Favored 'Cis proline' 0 C--N 1.343 0.251 0 C-N-CA 123.063 -1.64 . . . . 0.0 112.404 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.52 141.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.6 159.61 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.794 0.33 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.3 57.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -121.79 163.26 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mt -124.61 110.96 27.88 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.2 Cg_endo -74.65 150.42 95.47 Favored 'Cis proline' 0 C--N 1.343 0.267 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.378 0.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.61 134.82 22.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.288 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.64 155.37 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 64.78 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -112.62 163.46 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 72.9 mt -125.12 102.64 30.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 63.4 Cg_endo -73.8 172.94 58.72 Favored 'Cis proline' 0 C--N 1.342 0.237 0 C-N-CA 122.969 -1.679 . . . . 0.0 112.325 0.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 7' ' ' PRO . 57.3 Cg_endo -71.18 142.89 42.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -122.29 133.45 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.27 60.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' THR . 89.2 p -110.45 162.83 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 46.7 mt -121.84 105.95 37.38 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.5 Cg_endo -76.02 164.15 88.5 Favored 'Cis proline' 0 C--N 1.343 0.246 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.442 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.04 133.2 17.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.776 2.317 . . . . 0.0 112.216 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.35 158.07 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.853 0.359 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 59.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 p -140.89 163.88 31.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 mt -111.93 121.83 38.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.51 150.38 90.63 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.192 -1.587 . . . . 0.0 112.33 0.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 121.78 7.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.245 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.98 158.98 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 60.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.9 p -117.14 155.94 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.2 mt -126.66 107.75 23.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 60.9 Cg_endo -72.73 152.23 97.66 Favored 'Cis proline' 0 C--N 1.344 0.325 0 C-N-CA 123.071 -1.637 . . . . 0.0 112.39 0.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 50.8 Cg_exo -55.29 143.28 76.71 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.763 2.309 . . . . 0.0 112.239 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -129.31 133.46 47.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.41 56.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -124.21 165.02 18.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 35.1 mm -122.34 116.15 29.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.194 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.3 Cg_endo -75.91 157.99 98.21 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.113 -1.619 . . . . 0.0 112.393 0.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 134.02 27.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.289 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -127.16 158.4 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.3 59.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -118.12 163.64 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -124.25 112.21 28.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 72.7 Cg_endo -76.48 152.73 96.23 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.331 0.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 51.9 Cg_exo -54.85 129.32 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -130.44 153.72 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.3 58.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -110.77 163.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mm -126.47 107.18 23.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.8 Cg_endo -76.24 155.59 98.4 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 123.153 -1.603 . . . . 0.0 112.418 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 132.52 20.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.147 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.98 159.76 33.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.72 0.295 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 64.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 3' ' ' THR . 12.6 p -144.07 151.02 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.42 120.46 42.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.74 150.71 94.78 Favored 'Cis proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 -1.625 . . . . 0.0 112.333 0.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.74 145.14 74.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.176 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -128.66 127.6 42.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 179.839 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 5' ' ' SER . 11.1 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 60.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.55 ' O ' HD13 ' A' ' 6' ' ' ILE . 91.4 p -119.93 164.08 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 5' ' ' SER . 17.4 mm -119.03 108.58 40.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.1 Cg_endo -76.04 156.61 98.66 Favored 'Cis proline' 0 C--N 1.344 0.309 0 C-N-CA 122.998 -1.667 . . . . 0.0 112.471 -0.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.62 134.03 21.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.774 2.316 . . . . 0.0 112.255 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 3' ' ' THR . 4.5 tp60 -131.57 159.95 36.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.783 0.325 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.09 53.52 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' PRO . 58.1 p -102.2 164.48 11.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mp -120.68 104.42 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.1 Cg_endo -75.38 156.76 99.45 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 123.104 -1.623 . . . . 0.0 112.373 0.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 52.9 Cg_exo -54.48 145.18 58.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.784 2.322 . . . . 0.0 112.212 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.68 139.35 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 59.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.0 OUTLIER -112.28 163.29 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.9 mt -127.2 104.17 22.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.3 Cg_endo -74.63 153.95 99.42 Favored 'Cis proline' 0 C--N 1.343 0.247 0 C-N-CA 123.04 -1.65 . . . . 0.0 112.385 0.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 31.9 Cg_exo -58.1 144.49 94.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.788 2.326 . . . . 0.0 112.228 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 116.13 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.96 57.19 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -128.94 162.92 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.7 mp -116.65 120.48 34.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.7 Cg_endo -77.3 152.18 93.83 Favored 'Cis proline' 0 C--N 1.344 0.296 0 C-N-CA 123.121 -1.616 . . . . 0.0 112.324 0.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 44.7 Cg_exo -56.37 129.32 34.15 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.731 2.287 . . . . 0.0 112.177 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.08 158.41 39.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.954 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.64 57.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -117.44 163.36 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -126.04 110.29 24.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.4 150.51 94.95 Favored 'Cis proline' 0 C--N 1.344 0.295 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.381 -0.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.73 135.88 26.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.59 158.57 38.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' GLN . 57.6 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.89 57.89 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 53.9 p -145.66 157.0 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' ' C ' ' A' ' 7' ' ' PRO . 32.5 mt -113.0 124.94 30.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 6' ' ' ILE . 55.6 Cg_endo -69.98 148.38 87.11 Favored 'Cis proline' 0 C--N 1.344 0.333 0 C-N-CA 123.127 -1.614 . . . . 0.0 112.289 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' SER . 61.4 Cg_endo -73.53 132.93 18.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.772 2.315 . . . . 0.0 112.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.54 151.52 49.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 5' ' ' SER . 12.4 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.23 60.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' THR . 77.5 p -118.68 162.09 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 2.4 mp -128.69 111.95 19.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.3 151.71 96.81 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 123.094 -1.627 . . . . 0.0 112.357 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 131.95 20.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.68 158.96 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.37 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 63.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 p -138.13 158.28 44.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' C ' ' A' ' 7' ' ' PRO . 3.1 mp -121.67 121.05 28.43 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 6' ' ' ILE . 48.9 Cg_endo -68.87 148.78 85.29 Favored 'Cis proline' 0 C--N 1.344 0.336 0 C-N-CA 123.154 -1.602 . . . . 0.0 112.211 0.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -73.87 133.73 18.82 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 5.4 tp60 -126.18 148.41 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.3 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 61.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' THR . 5.8 p -129.49 151.92 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.28 118.45 27.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 54.8 Cg_endo -69.82 150.22 89.96 Favored 'Cis proline' 0 C--N 1.344 0.337 0 C-N-CA 123.082 -1.632 . . . . 0.0 112.337 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 39.6 Cg_exo -60.07 144.6 99.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.787 2.324 . . . . 0.0 112.202 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.456 ' OE1' ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -132.97 143.32 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.51 65.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' THR . 23.3 p -138.97 162.4 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.9 mt -125.26 114.95 25.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 149.45 90.86 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.344 0.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.99 140.93 39.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.302 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -115.29 132.88 56.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.26 63.53 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -141.03 153.91 45.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mm -113.59 120.82 38.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.85 149.95 94.68 Favored 'Cis proline' 0 C--N 1.345 0.368 0 C-N-CA 123.116 -1.618 . . . . 0.0 112.284 0.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.68 129.14 19.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.226 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -114.09 142.75 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.912 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.9 56.85 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -125.74 163.47 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 19.8 mm -118.53 117.55 34.33 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 80.6 Cg_endo -77.78 152.33 92.53 Favored 'Cis proline' 0 C--N 1.345 0.352 0 C-N-CA 123.245 -1.564 . . . . 0.0 112.447 -0.017 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 39.2 Cg_exo -60.3 132.21 42.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.746 2.297 . . . . 0.0 112.247 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -131.86 149.38 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.44 59.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' THR . 67.5 p -123.2 163.31 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.8 mt -118.73 115.28 35.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.9 Cg_endo -76.99 153.39 96.04 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 123.138 -1.609 . . . . 0.0 112.432 -0.019 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.81 122.76 9.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.676 2.251 . . . . 0.0 112.239 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -128.1 160.2 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.94 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' GLN . 13.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.74 55.91 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.49 ' OG ' ' HG2' ' A' ' 9' ' ' GLN . 3.0 p -114.06 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 7.9 mm -123.94 109.17 29.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.2 Cg_endo -75.94 152.83 97.22 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.102 -1.624 . . . . 0.0 112.459 -0.012 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 37.6 Cg_exo -56.93 142.69 93.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.274 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -131.2 159.6 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.9 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 63.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.769 ' C ' HD12 ' A' ' 6' ' ' ILE . 7.0 p -139.42 154.62 47.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.769 HD12 ' C ' ' A' ' 5' ' ' SER . 1.1 mp -112.89 119.55 42.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 73.2 Cg_endo -76.0 152.18 96.32 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.123 -1.615 . . . . 0.0 112.339 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 50.5 Cg_exo -55.59 133.17 56.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.228 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 3' ' ' THR . 1.1 tt0 -115.84 137.49 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.971 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.24 62.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.573 ' O ' HD13 ' A' ' 6' ' ' ILE . 96.2 p -120.92 163.55 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 5' ' ' SER . 2.6 mm -126.22 107.24 24.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.56 158.52 98.3 Favored 'Cis proline' 0 C--N 1.344 0.298 0 C-N-CA 123.019 -1.659 . . . . 0.0 112.357 0.13 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 143.31 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.172 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -123.08 141.01 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.976 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.845 0.355 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 60.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' THR . 66.7 p -117.25 163.22 16.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 34.3 mt -127.25 111.28 21.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.6 Cg_endo -77.11 158.03 96.61 Favored 'Cis proline' 0 C--N 1.345 0.35 0 C-N-CA 123.16 -1.6 . . . . 0.0 112.424 -0.02 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 132.61 21.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.813 2.342 . . . . 0.0 112.264 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.24 146.86 47.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.97 179.885 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' SER . 29.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.82 61.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' THR . 81.2 p -120.4 164.37 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 3.1 mt -126.28 106.3 24.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.7 Cg_endo -74.45 156.67 99.78 Favored 'Cis proline' 0 C--N 1.343 0.263 0 C-N-CA 123.038 -1.651 . . . . 0.0 112.384 0.096 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.63 135.73 22.33 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.802 2.335 . . . . 0.0 112.239 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -130.84 154.65 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.918 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 58.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.597 ' C ' HD12 ' A' ' 6' ' ' ILE . 89.5 p -103.65 163.24 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.597 HD12 ' C ' ' A' ' 5' ' ' SER . 3.4 mp -127.92 103.75 21.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.69 152.53 98.34 Favored 'Cis proline' 0 C--N 1.343 0.259 0 C-N-CA 122.994 -1.669 . . . . 0.0 112.346 0.009 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HA ' ' OG ' ' A' ' 5' ' ' SER . 38.1 Cg_exo -57.22 133.76 59.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.752 2.301 . . . . 0.0 112.254 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -130.3 159.19 37.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' SER . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.41 60.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.8 p -111.67 163.31 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.2 mt -124.82 105.18 29.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.0 Cg_endo -75.75 156.27 99.02 Favored 'Cis proline' 0 C--N 1.343 0.248 0 C-N-CA 123.056 -1.643 . . . . 0.0 112.355 0.121 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.52 139.03 47.71 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.764 2.309 . . . . 0.0 112.182 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 10' ' ' CYS . 41.9 tt0 -132.12 160.73 35.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 9' ' ' GLN . 1.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.99 145.6 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -83.64 159.55 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 57.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' HD13 ' A' ' 6' ' ' ILE . 72.7 p -110.58 160.75 16.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 5' ' ' SER . 51.1 mm -127.39 107.16 21.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 59.5 Cg_endo -72.21 154.23 98.28 Favored 'Cis proline' 0 C--N 1.343 0.251 0 C-N-CA 123.063 -1.64 . . . . 0.0 112.404 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.52 141.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.6 159.61 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -117.98 144.8 45.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.868 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.417 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 97.6 m -102.31 163.12 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -60.39 149.72 33.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.3 57.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -121.79 163.26 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mt -124.61 110.96 27.88 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.2 Cg_endo -74.65 150.42 95.47 Favored 'Cis proline' 0 C--N 1.343 0.267 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.378 0.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.61 134.82 22.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.288 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.422 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 18.0 pt20 -130.64 155.37 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 55.3 m -111.48 159.09 18.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 m -102.32 149.5 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.9 p -88.63 162.56 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 64.78 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -112.62 163.46 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 72.9 mt -125.12 102.64 30.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 63.4 Cg_endo -73.8 172.94 58.72 Favored 'Cis proline' 0 C--N 1.342 0.237 0 C-N-CA 122.969 -1.679 . . . . 0.0 112.325 0.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 7' ' ' PRO . 57.3 Cg_endo -71.18 142.89 42.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -122.29 133.45 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -123.98 133.84 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.925 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.58 162.09 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.4 p -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.27 60.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' THR . 89.2 p -110.45 162.83 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 46.7 mt -121.84 105.95 37.38 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.5 Cg_endo -76.02 164.15 88.5 Favored 'Cis proline' 0 C--N 1.343 0.246 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.442 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.04 133.2 17.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.776 2.317 . . . . 0.0 112.216 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.35 158.07 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.81 158.1 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.936 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.634 ' HA ' ' HE3' ' A' ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.1 m -103.03 158.79 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.7 p -72.98 155.13 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 59.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 p -140.89 163.88 31.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 mt -111.93 121.83 38.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.51 150.38 90.63 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.192 -1.587 . . . . 0.0 112.33 0.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 121.78 7.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.245 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.98 158.98 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -113.64 66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.888 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.411 ' HB3' ' C ' ' A' ' 9' ' ' GLN . 61.3 m -99.62 159.76 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.2 p -65.77 156.26 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 60.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.9 p -117.14 155.94 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.2 mt -126.66 107.75 23.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 60.9 Cg_endo -72.73 152.23 97.66 Favored 'Cis proline' 0 C--N 1.344 0.325 0 C-N-CA 123.071 -1.637 . . . . 0.0 112.39 0.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 50.8 Cg_exo -55.29 143.28 76.71 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.763 2.309 . . . . 0.0 112.239 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.411 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 5.8 tt0 -129.31 133.46 47.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -108.27 119.09 38.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.513 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.2 m -104.16 157.84 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -78.12 149.54 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.41 56.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -124.21 165.02 18.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 35.1 mm -122.34 116.15 29.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.194 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.3 Cg_endo -75.91 157.99 98.21 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.113 -1.619 . . . . 0.0 112.393 0.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 134.02 27.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.289 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -127.16 158.4 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -129.95 107.99 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 9' ' ' GLN . 12.0 m -103.3 164.63 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -77.53 152.6 33.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.3 59.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -118.12 163.64 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -124.25 112.21 28.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 72.7 Cg_endo -76.48 152.73 96.23 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.331 0.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 51.9 Cg_exo -54.85 129.32 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' C ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 tp60 -130.44 153.72 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.2 m -115.1 168.57 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 2.0 p90 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 m -104.42 152.58 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.783 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p -95.13 154.84 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.3 58.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -110.77 163.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mm -126.47 107.18 23.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.8 Cg_endo -76.24 155.59 98.4 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 123.153 -1.603 . . . . 0.0 112.418 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 132.52 20.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.147 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.98 159.76 33.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.73 116.57 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 17.6 t80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.511 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -98.05 166.15 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.1 p -67.38 141.49 57.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 64.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 3' ' ' THR . 12.6 p -144.07 151.02 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.42 120.46 42.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.74 150.71 94.78 Favored 'Cis proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 -1.625 . . . . 0.0 112.333 0.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.74 145.14 74.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.176 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 7.5 mt-30 -128.66 127.6 42.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.511 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.7 m -113.7 101.79 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.31 152.09 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 5' ' ' SER . 11.1 p -69.27 132.31 46.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 60.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.55 ' O ' HD13 ' A' ' 6' ' ' ILE . 91.4 p -119.93 164.08 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 5' ' ' SER . 17.4 mm -119.03 108.58 40.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.1 Cg_endo -76.04 156.61 98.66 Favored 'Cis proline' 0 C--N 1.344 0.309 0 C-N-CA 122.998 -1.667 . . . . 0.0 112.471 -0.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.62 134.03 21.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.774 2.316 . . . . 0.0 112.255 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -131.57 159.95 36.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.04 142.43 46.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.879 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.5 m -101.52 136.52 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.72 152.42 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.09 53.52 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' PRO . 58.1 p -102.2 164.48 11.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mp -120.68 104.42 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.1 Cg_endo -75.38 156.76 99.45 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 123.104 -1.623 . . . . 0.0 112.373 0.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 52.9 Cg_exo -54.48 145.18 58.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.784 2.322 . . . . 0.0 112.212 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.68 139.35 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.7 m -135.61 105.48 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.886 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -135.16 148.34 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p -99.23 138.98 35.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 59.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.0 OUTLIER -112.28 163.29 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.9 mt -127.2 104.17 22.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.3 Cg_endo -74.63 153.95 99.42 Favored 'Cis proline' 0 C--N 1.343 0.247 0 C-N-CA 123.04 -1.65 . . . . 0.0 112.385 0.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 31.9 Cg_exo -58.1 144.49 94.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.788 2.326 . . . . 0.0 112.228 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 116.13 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -116.58 68.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 39.0 m -101.35 156.11 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -63.25 156.94 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.96 57.19 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -128.94 162.92 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.7 mp -116.65 120.48 34.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.7 Cg_endo -77.3 152.18 93.83 Favored 'Cis proline' 0 C--N 1.344 0.296 0 C-N-CA 123.121 -1.616 . . . . 0.0 112.324 0.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 44.7 Cg_exo -56.37 129.32 34.15 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.731 2.287 . . . . 0.0 112.177 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -129.08 158.41 39.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.954 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 9.4 m -124.53 145.92 49.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.902 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.99 165.64 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -89.32 153.38 20.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.64 57.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -117.44 163.36 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -126.04 110.29 24.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.4 150.51 94.95 Favored 'Cis proline' 0 C--N 1.344 0.295 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.381 -0.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.73 135.88 26.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.59 158.57 38.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.59 168.68 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.69 161.82 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 p -66.44 156.25 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.89 57.89 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 53.9 p -145.66 157.0 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' ' C ' ' A' ' 7' ' ' PRO . 32.5 mt -113.0 124.94 30.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 6' ' ' ILE . 55.6 Cg_endo -69.98 148.38 87.11 Favored 'Cis proline' 0 C--N 1.344 0.333 0 C-N-CA 123.127 -1.614 . . . . 0.0 112.289 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' SER . 61.4 Cg_endo -73.53 132.93 18.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.772 2.315 . . . . 0.0 112.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.54 151.52 49.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.25 128.17 55.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.503 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 51.8 m -103.02 154.3 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 5' ' ' SER . 12.4 p -102.05 155.31 18.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.23 60.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' THR . 77.5 p -118.68 162.09 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 2.4 mp -128.69 111.95 19.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.3 151.71 96.81 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 123.094 -1.627 . . . . 0.0 112.357 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 131.95 20.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -125.68 158.96 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -123.33 167.35 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.968 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 m -101.11 146.87 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.812 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.0 p -73.68 141.11 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 63.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 p -138.13 158.28 44.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' C ' ' A' ' 7' ' ' PRO . 3.1 mp -121.67 121.05 28.43 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 6' ' ' ILE . 48.9 Cg_endo -68.87 148.78 85.29 Favored 'Cis proline' 0 C--N 1.344 0.336 0 C-N-CA 123.154 -1.602 . . . . 0.0 112.211 0.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -73.87 133.73 18.82 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 5.4 tp60 -126.18 148.41 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 1.8 m -110.98 170.69 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.996 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.515 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 93.6 m -99.07 160.54 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.3 p -79.25 151.9 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 61.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' THR . 5.8 p -129.49 151.92 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.28 118.45 27.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 54.8 Cg_endo -69.82 150.22 89.96 Favored 'Cis proline' 0 C--N 1.344 0.337 0 C-N-CA 123.082 -1.632 . . . . 0.0 112.337 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 39.6 Cg_exo -60.07 144.6 99.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.787 2.324 . . . . 0.0 112.202 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' OE1' ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -132.97 143.32 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.515 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -124.8 101.8 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.6 m -136.61 163.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.8 OUTLIER -79.01 136.36 37.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.51 65.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' THR . 23.3 p -138.97 162.4 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.9 mt -125.26 114.95 25.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 149.45 90.86 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.344 0.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.99 140.93 39.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.302 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -115.29 132.88 56.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.26 106.95 12.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.874 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.484 ' HE2' ' HB3' ' A' ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -103.28 156.63 17.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -90.86 158.21 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.26 63.53 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -141.03 153.91 45.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mm -113.59 120.82 38.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.85 149.95 94.68 Favored 'Cis proline' 0 C--N 1.345 0.368 0 C-N-CA 123.116 -1.618 . . . . 0.0 112.284 0.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.68 129.14 19.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.226 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.467 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.3 pt20 -114.09 142.75 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.92 149.02 39.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.96 179.868 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 74.4 m -100.72 162.83 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.963 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 p -64.19 153.61 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.9 56.85 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -125.74 163.47 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 19.8 mm -118.53 117.55 34.33 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 80.6 Cg_endo -77.78 152.33 92.53 Favored 'Cis proline' 0 C--N 1.345 0.352 0 C-N-CA 123.245 -1.564 . . . . 0.0 112.447 -0.017 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 39.2 Cg_exo -60.3 132.21 42.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.746 2.297 . . . . 0.0 112.247 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 7.0 tt0 -131.86 149.38 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.17 147.9 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.762 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.447 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.0 m -108.1 162.81 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.6 p -98.0 142.36 29.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.44 59.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' THR . 67.5 p -123.2 163.31 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.8 mt -118.73 115.28 35.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.9 Cg_endo -76.99 153.39 96.04 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 123.138 -1.609 . . . . 0.0 112.432 -0.019 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.81 122.76 9.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.676 2.251 . . . . 0.0 112.239 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -128.1 160.2 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 7.9 m -113.85 150.04 34.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.435 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.67 155.15 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.971 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' GLN . 13.3 p -66.22 161.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.74 55.91 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.49 ' OG ' ' HG2' ' A' ' 9' ' ' GLN . 3.0 p -114.06 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 7.9 mm -123.94 109.17 29.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.2 Cg_endo -75.94 152.83 97.22 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.102 -1.624 . . . . 0.0 112.459 -0.012 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 37.6 Cg_exo -56.93 142.69 93.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.274 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -131.2 159.6 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 2.3 m -126.59 170.21 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.52 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 67.0 m -101.93 156.38 17.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.9 p -60.93 146.02 48.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 63.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.769 ' C ' HD12 ' A' ' 6' ' ' ILE . 7.0 p -139.42 154.62 47.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.769 HD12 ' C ' ' A' ' 5' ' ' SER . 1.1 mp -112.89 119.55 42.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 73.2 Cg_endo -76.0 152.18 96.32 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.123 -1.615 . . . . 0.0 112.339 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 50.5 Cg_exo -55.59 133.17 56.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.228 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 1.1 tt0 -115.84 137.49 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -124.04 170.56 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.512 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 75.8 m -104.99 163.77 12.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.631 HG23 ' HE1' ' A' ' 11' ' ' TYR . 19.0 p -74.03 166.42 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.24 62.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.573 ' O ' HD13 ' A' ' 6' ' ' ILE . 96.2 p -120.92 163.55 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 5' ' ' SER . 2.6 mm -126.22 107.24 24.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.56 158.52 98.3 Favored 'Cis proline' 0 C--N 1.344 0.298 0 C-N-CA 123.019 -1.659 . . . . 0.0 112.357 0.13 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 143.31 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.172 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 3.7 mp0 -123.08 141.01 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -122.15 154.4 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.631 ' HE1' HG23 ' A' ' 3' ' ' THR . 12.1 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -103.3 156.49 17.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p -113.79 154.25 27.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 60.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' THR . 66.7 p -117.25 163.22 16.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 34.3 mt -127.25 111.28 21.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.6 Cg_endo -77.11 158.03 96.61 Favored 'Cis proline' 0 C--N 1.345 0.35 0 C-N-CA 123.16 -1.6 . . . . 0.0 112.424 -0.02 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 132.61 21.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.813 2.342 . . . . 0.0 112.264 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -123.24 146.86 47.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.891 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.57 76.37 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.479 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 10' ' ' CYS . 64.1 m -105.07 163.83 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' SER . 29.0 p -64.97 147.07 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.82 61.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' THR . 81.2 p -120.4 164.37 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 3.1 mt -126.28 106.3 24.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.7 Cg_endo -74.45 156.67 99.78 Favored 'Cis proline' 0 C--N 1.343 0.263 0 C-N-CA 123.038 -1.651 . . . . 0.0 112.384 0.096 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.63 135.73 22.33 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.802 2.335 . . . . 0.0 112.239 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 50.5 mt-30 -130.84 154.65 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 85.1 m -111.18 130.98 55.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.869 -179.958 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.83 163.91 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p -99.68 154.39 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 58.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.597 ' C ' HD12 ' A' ' 6' ' ' ILE . 89.5 p -103.65 163.24 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.597 HD12 ' C ' ' A' ' 5' ' ' SER . 3.4 mp -127.92 103.75 21.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.69 152.53 98.34 Favored 'Cis proline' 0 C--N 1.343 0.259 0 C-N-CA 122.994 -1.669 . . . . 0.0 112.346 0.009 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HA ' ' OG ' ' A' ' 5' ' ' SER . 38.1 Cg_exo -57.22 133.76 59.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.752 2.301 . . . . 0.0 112.254 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -130.3 159.19 37.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.09 157.47 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.926 179.925 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' NLE . . . . . 0.485 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 99.0 m -101.93 156.67 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' SER . 17.6 p -73.36 147.08 44.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.41 60.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.8 p -111.67 163.31 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.2 mt -124.82 105.18 29.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.0 Cg_endo -75.75 156.27 99.02 Favored 'Cis proline' 0 C--N 1.343 0.248 0 C-N-CA 123.056 -1.643 . . . . 0.0 112.355 0.121 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.52 139.03 47.71 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.764 2.309 . . . . 0.0 112.182 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 tt0 -132.12 160.73 35.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -122.25 104.94 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.799 0.333 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 57.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' HD13 ' A' ' 6' ' ' ILE . 72.7 p -110.58 160.75 16.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 5' ' ' SER . 51.1 mm -127.39 107.16 21.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 59.5 Cg_endo -72.21 154.23 98.28 Favored 'Cis proline' 0 C--N 1.343 0.251 0 C-N-CA 123.063 -1.64 . . . . 0.0 112.404 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.52 141.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.6 159.61 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.794 0.33 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.3 57.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -121.79 163.26 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mt -124.61 110.96 27.88 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.2 Cg_endo -74.65 150.42 95.47 Favored 'Cis proline' 0 C--N 1.343 0.267 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.378 0.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.61 134.82 22.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.288 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -130.64 155.37 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.844 0.354 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 64.78 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -112.62 163.46 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 72.9 mt -125.12 102.64 30.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 63.4 Cg_endo -73.8 172.94 58.72 Favored 'Cis proline' 0 C--N 1.342 0.237 0 C-N-CA 122.969 -1.679 . . . . 0.0 112.325 0.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 7' ' ' PRO . 57.3 Cg_endo -71.18 142.89 42.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -122.29 133.45 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.27 60.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' THR . 89.2 p -110.45 162.83 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 46.7 mt -121.84 105.95 37.38 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.5 Cg_endo -76.02 164.15 88.5 Favored 'Cis proline' 0 C--N 1.343 0.246 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.442 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.04 133.2 17.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.776 2.317 . . . . 0.0 112.216 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.35 158.07 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.853 0.359 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 59.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 p -140.89 163.88 31.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 mt -111.93 121.83 38.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.51 150.38 90.63 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.192 -1.587 . . . . 0.0 112.33 0.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 121.78 7.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.245 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.98 158.98 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 60.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.9 p -117.14 155.94 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.2 mt -126.66 107.75 23.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 60.9 Cg_endo -72.73 152.23 97.66 Favored 'Cis proline' 0 C--N 1.344 0.325 0 C-N-CA 123.071 -1.637 . . . . 0.0 112.39 0.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 50.8 Cg_exo -55.29 143.28 76.71 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.763 2.309 . . . . 0.0 112.239 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -129.31 133.46 47.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.41 56.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -124.21 165.02 18.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 35.1 mm -122.34 116.15 29.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.194 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.3 Cg_endo -75.91 157.99 98.21 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.113 -1.619 . . . . 0.0 112.393 0.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 134.02 27.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.289 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -127.16 158.4 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.3 59.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -118.12 163.64 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -124.25 112.21 28.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 72.7 Cg_endo -76.48 152.73 96.23 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.331 0.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 51.9 Cg_exo -54.85 129.32 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -130.44 153.72 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.3 58.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -110.77 163.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mm -126.47 107.18 23.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.8 Cg_endo -76.24 155.59 98.4 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 123.153 -1.603 . . . . 0.0 112.418 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 132.52 20.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.147 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.98 159.76 33.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.72 0.295 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 64.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 3' ' ' THR . 12.6 p -144.07 151.02 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.42 120.46 42.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.74 150.71 94.78 Favored 'Cis proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 -1.625 . . . . 0.0 112.333 0.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.74 145.14 74.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.176 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -128.66 127.6 42.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 179.839 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 5' ' ' SER . 11.1 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 60.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.55 ' O ' HD13 ' A' ' 6' ' ' ILE . 91.4 p -119.93 164.08 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 5' ' ' SER . 17.4 mm -119.03 108.58 40.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.1 Cg_endo -76.04 156.61 98.66 Favored 'Cis proline' 0 C--N 1.344 0.309 0 C-N-CA 122.998 -1.667 . . . . 0.0 112.471 -0.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.62 134.03 21.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.774 2.316 . . . . 0.0 112.255 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 3' ' ' THR . 4.5 tp60 -131.57 159.95 36.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.783 0.325 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.09 53.52 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' PRO . 58.1 p -102.2 164.48 11.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mp -120.68 104.42 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.1 Cg_endo -75.38 156.76 99.45 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 123.104 -1.623 . . . . 0.0 112.373 0.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 52.9 Cg_exo -54.48 145.18 58.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.784 2.322 . . . . 0.0 112.212 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.68 139.35 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.816 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 59.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.0 OUTLIER -112.28 163.29 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.9 mt -127.2 104.17 22.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.3 Cg_endo -74.63 153.95 99.42 Favored 'Cis proline' 0 C--N 1.343 0.247 0 C-N-CA 123.04 -1.65 . . . . 0.0 112.385 0.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 31.9 Cg_exo -58.1 144.49 94.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.788 2.326 . . . . 0.0 112.228 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 116.13 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.801 0.334 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.96 57.19 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -128.94 162.92 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.7 mp -116.65 120.48 34.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.7 Cg_endo -77.3 152.18 93.83 Favored 'Cis proline' 0 C--N 1.344 0.296 0 C-N-CA 123.121 -1.616 . . . . 0.0 112.324 0.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 44.7 Cg_exo -56.37 129.32 34.15 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.731 2.287 . . . . 0.0 112.177 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.08 158.41 39.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.954 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.64 57.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -117.44 163.36 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -126.04 110.29 24.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.4 150.51 94.95 Favored 'Cis proline' 0 C--N 1.344 0.295 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.381 -0.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.73 135.88 26.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.59 158.57 38.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' GLN . 57.6 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.89 57.89 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 53.9 p -145.66 157.0 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' ' C ' ' A' ' 7' ' ' PRO . 32.5 mt -113.0 124.94 30.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 6' ' ' ILE . 55.6 Cg_endo -69.98 148.38 87.11 Favored 'Cis proline' 0 C--N 1.344 0.333 0 C-N-CA 123.127 -1.614 . . . . 0.0 112.289 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' SER . 61.4 Cg_endo -73.53 132.93 18.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.772 2.315 . . . . 0.0 112.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.54 151.52 49.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 5' ' ' SER . 12.4 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.23 60.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' THR . 77.5 p -118.68 162.09 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 2.4 mp -128.69 111.95 19.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.3 151.71 96.81 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 123.094 -1.627 . . . . 0.0 112.357 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 131.95 20.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.68 158.96 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.37 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 63.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 p -138.13 158.28 44.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' C ' ' A' ' 7' ' ' PRO . 3.1 mp -121.67 121.05 28.43 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 6' ' ' ILE . 48.9 Cg_endo -68.87 148.78 85.29 Favored 'Cis proline' 0 C--N 1.344 0.336 0 C-N-CA 123.154 -1.602 . . . . 0.0 112.211 0.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -73.87 133.73 18.82 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -126.18 148.41 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 1.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.3 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 61.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' THR . 5.8 p -129.49 151.92 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.28 118.45 27.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 54.8 Cg_endo -69.82 150.22 89.96 Favored 'Cis proline' 0 C--N 1.344 0.337 0 C-N-CA 123.082 -1.632 . . . . 0.0 112.337 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 39.6 Cg_exo -60.07 144.6 99.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.787 2.324 . . . . 0.0 112.202 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.456 ' OE1' ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -132.97 143.32 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.51 65.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' THR . 23.3 p -138.97 162.4 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.9 mt -125.26 114.95 25.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 149.45 90.86 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.344 0.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.99 140.93 39.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.302 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -115.29 132.88 56.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.967 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.26 63.53 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -141.03 153.91 45.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mm -113.59 120.82 38.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.85 149.95 94.68 Favored 'Cis proline' 0 C--N 1.345 0.368 0 C-N-CA 123.116 -1.618 . . . . 0.0 112.284 0.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.68 129.14 19.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.226 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -114.09 142.75 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.912 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.9 56.85 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -125.74 163.47 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 19.8 mm -118.53 117.55 34.33 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 80.6 Cg_endo -77.78 152.33 92.53 Favored 'Cis proline' 0 C--N 1.345 0.352 0 C-N-CA 123.245 -1.564 . . . . 0.0 112.447 -0.017 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 39.2 Cg_exo -60.3 132.21 42.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.746 2.297 . . . . 0.0 112.247 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -131.86 149.38 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.44 59.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' THR . 67.5 p -123.2 163.31 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.8 mt -118.73 115.28 35.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.9 Cg_endo -76.99 153.39 96.04 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 123.138 -1.609 . . . . 0.0 112.432 -0.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.81 122.76 9.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.676 2.251 . . . . 0.0 112.239 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -128.1 160.2 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.94 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' GLN . 13.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.74 55.91 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.49 ' OG ' ' HG2' ' A' ' 9' ' ' GLN . 3.0 p -114.06 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 7.9 mm -123.94 109.17 29.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.2 Cg_endo -75.94 152.83 97.22 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.102 -1.624 . . . . 0.0 112.459 -0.012 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 37.6 Cg_exo -56.93 142.69 93.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.274 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -131.2 159.6 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.9 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 63.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.769 ' C ' HD12 ' A' ' 6' ' ' ILE . 7.0 p -139.42 154.62 47.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.769 HD12 ' C ' ' A' ' 5' ' ' SER . 1.1 mp -112.89 119.55 42.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 73.2 Cg_endo -76.0 152.18 96.32 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.123 -1.615 . . . . 0.0 112.339 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 50.5 Cg_exo -55.59 133.17 56.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.228 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 3' ' ' THR . 1.1 tt0 -115.84 137.49 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.971 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.24 62.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.573 ' O ' HD13 ' A' ' 6' ' ' ILE . 96.2 p -120.92 163.55 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 5' ' ' SER . 2.6 mm -126.22 107.24 24.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.56 158.52 98.3 Favored 'Cis proline' 0 C--N 1.344 0.298 0 C-N-CA 123.019 -1.659 . . . . 0.0 112.357 0.13 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 143.31 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.172 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.08 141.01 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.976 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.845 0.355 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 60.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' THR . 66.7 p -117.25 163.22 16.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 34.3 mt -127.25 111.28 21.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.6 Cg_endo -77.11 158.03 96.61 Favored 'Cis proline' 0 C--N 1.345 0.35 0 C-N-CA 123.16 -1.6 . . . . 0.0 112.424 -0.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 132.61 21.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.813 2.342 . . . . 0.0 112.264 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.24 146.86 47.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.97 179.885 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' SER . 29.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.786 0.326 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.82 61.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' THR . 81.2 p -120.4 164.37 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 3.1 mt -126.28 106.3 24.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.7 Cg_endo -74.45 156.67 99.78 Favored 'Cis proline' 0 C--N 1.343 0.263 0 C-N-CA 123.038 -1.651 . . . . 0.0 112.384 0.096 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.63 135.73 22.33 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.802 2.335 . . . . 0.0 112.239 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -130.84 154.65 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.918 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 58.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.597 ' C ' HD12 ' A' ' 6' ' ' ILE . 89.5 p -103.65 163.24 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.597 HD12 ' C ' ' A' ' 5' ' ' SER . 3.4 mp -127.92 103.75 21.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.69 152.53 98.34 Favored 'Cis proline' 0 C--N 1.343 0.259 0 C-N-CA 122.994 -1.669 . . . . 0.0 112.346 0.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HA ' ' OG ' ' A' ' 5' ' ' SER . 38.1 Cg_exo -57.22 133.76 59.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.752 2.301 . . . . 0.0 112.254 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -130.3 159.19 37.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' SER . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.41 60.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.8 p -111.67 163.31 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.2 mt -124.82 105.18 29.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.0 Cg_endo -75.75 156.27 99.02 Favored 'Cis proline' 0 C--N 1.343 0.248 0 C-N-CA 123.056 -1.643 . . . . 0.0 112.355 0.121 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.52 139.03 47.71 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.764 2.309 . . . . 0.0 112.182 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' CG ' ' N ' ' A' ' 10' ' ' CYS . 41.9 tt0 -132.12 160.73 35.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 9' ' ' GLN . 1.8 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.99 145.6 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -83.64 159.55 21.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 57.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' HD13 ' A' ' 6' ' ' ILE . 72.7 p -110.58 160.75 16.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 5' ' ' SER . 51.1 mm -127.39 107.16 21.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 59.5 Cg_endo -72.21 154.23 98.28 Favored 'Cis proline' 0 C--N 1.343 0.251 0 C-N-CA 123.063 -1.64 . . . . 0.0 112.404 0.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.52 141.01 37.44 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.705 2.27 . . . . 0.0 112.303 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.6 159.61 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -117.98 144.8 45.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.868 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.417 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 97.6 m -102.31 163.12 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.0 p -60.39 149.72 33.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.3 57.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -121.79 163.26 19.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mt -124.61 110.96 27.88 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.2 Cg_endo -74.65 150.42 95.47 Favored 'Cis proline' 0 C--N 1.343 0.267 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.378 0.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.61 134.82 22.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.288 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.422 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 18.0 pt20 -130.64 155.37 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 55.3 m -111.48 159.09 18.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 m -102.32 149.5 24.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.9 p -88.63 162.56 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.78 64.78 5.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -112.62 163.46 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 72.9 mt -125.12 102.64 30.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 63.4 Cg_endo -73.8 172.94 58.72 Favored 'Cis proline' 0 C--N 1.342 0.237 0 C-N-CA 122.969 -1.679 . . . . 0.0 112.325 0.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 7' ' ' PRO . 57.3 Cg_endo -71.18 142.89 42.78 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -122.29 133.45 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -123.98 133.84 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.0 p90 . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.925 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.58 162.09 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.509 ' O ' ' N ' ' A' ' 5' ' ' SER . 9.4 p -94.78 141.89 28.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.27 60.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' THR . 89.2 p -110.45 162.83 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 46.7 mt -121.84 105.95 37.38 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.5 Cg_endo -76.02 164.15 88.5 Favored 'Cis proline' 0 C--N 1.343 0.246 0 C-N-CA 123.109 -1.621 . . . . 0.0 112.442 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.04 133.2 17.79 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.776 2.317 . . . . 0.0 112.216 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.35 158.07 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.81 158.1 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.936 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.634 ' HE3' ' HA ' ' A' ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.1 m -103.03 158.79 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.7 p -72.98 155.13 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.6 59.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 p -140.89 163.88 31.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 mt -111.93 121.83 38.58 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -77.51 150.38 90.63 Favored 'Cis proline' 0 C--N 1.345 0.356 0 C-N-CA 123.192 -1.587 . . . . 0.0 112.33 0.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.61 121.78 7.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.764 2.31 . . . . 0.0 112.245 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.98 158.98 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -113.64 66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.888 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.411 ' HB3' ' C ' ' A' ' 9' ' ' GLN . 61.3 m -99.62 159.76 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.2 p -65.77 156.26 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.03 60.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 3' ' ' THR . 10.9 p -117.14 155.94 28.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.2 mt -126.66 107.75 23.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 60.9 Cg_endo -72.73 152.23 97.66 Favored 'Cis proline' 0 C--N 1.344 0.325 0 C-N-CA 123.071 -1.637 . . . . 0.0 112.39 0.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 50.8 Cg_exo -55.29 143.28 76.71 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.763 2.309 . . . . 0.0 112.239 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.411 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 2.5 tt0 -129.31 133.46 47.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -108.27 119.09 38.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.902 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.513 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.2 m -104.16 157.84 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -78.12 149.54 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.41 56.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -124.21 165.02 18.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 35.1 mm -122.34 116.15 29.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.194 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.3 Cg_endo -75.91 157.99 98.21 Favored 'Cis proline' 0 C--N 1.344 0.33 0 C-N-CA 123.113 -1.619 . . . . 0.0 112.393 0.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.62 134.02 27.26 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.289 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -127.16 158.4 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -129.95 107.99 9.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.811 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 9' ' ' GLN . 12.0 m -103.3 164.63 11.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -77.53 152.6 33.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.3 59.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -118.12 163.64 16.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -124.25 112.21 28.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.244 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 72.7 Cg_endo -76.48 152.73 96.23 Favored 'Cis proline' 0 C--N 1.344 0.334 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.331 0.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 51.9 Cg_exo -54.85 129.32 34.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' C ' ' SG ' ' A' ' 2' ' ' CYS . 22.5 tp60 -130.44 153.72 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.2 m -115.1 168.57 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.78 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.535 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 2.0 p90 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 m -104.42 152.58 22.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.783 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p -95.13 154.84 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.3 58.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -110.77 163.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mm -126.47 107.18 23.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.8 Cg_endo -76.24 155.59 98.4 Favored 'Cis proline' 0 C--N 1.343 0.279 0 C-N-CA 123.153 -1.603 . . . . 0.0 112.418 0.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.77 132.52 20.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.147 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.98 159.76 33.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.73 116.57 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 17.6 t80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.511 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -98.05 166.15 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 5' ' ' SER . 18.1 p -67.38 141.49 57.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 64.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 3' ' ' THR . 12.6 p -144.07 151.02 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.42 120.46 42.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.74 150.71 94.78 Favored 'Cis proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 -1.625 . . . . 0.0 112.333 0.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.74 145.14 74.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.752 2.301 . . . . 0.0 112.176 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' C ' ' HB3' ' A' ' 2' ' ' CYS . 7.5 mt-30 -128.66 127.6 42.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.511 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.7 m -113.7 101.79 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 m -102.31 152.09 21.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 5' ' ' SER . 11.1 p -69.27 132.31 46.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 60.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.55 ' O ' HD13 ' A' ' 6' ' ' ILE . 91.4 p -119.93 164.08 16.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 5' ' ' SER . 17.4 mm -119.03 108.58 40.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.089 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.1 Cg_endo -76.04 156.61 98.66 Favored 'Cis proline' 0 C--N 1.344 0.309 0 C-N-CA 122.998 -1.667 . . . . 0.0 112.471 -0.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.62 134.03 21.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.774 2.316 . . . . 0.0 112.255 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -131.57 159.95 36.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.04 142.43 46.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.879 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 94.5 m -101.52 136.52 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.72 152.42 27.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.09 53.52 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.975 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' PRO . 58.1 p -102.2 164.48 11.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.2 mp -120.68 104.42 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.1 Cg_endo -75.38 156.76 99.45 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 123.104 -1.623 . . . . 0.0 112.373 0.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 52.9 Cg_exo -54.48 145.18 58.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.784 2.322 . . . . 0.0 112.212 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.68 139.35 47.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.7 m -135.61 105.48 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.886 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -135.16 148.34 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p -99.23 138.98 35.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 59.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.0 OUTLIER -112.28 163.29 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.9 mt -127.2 104.17 22.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.3 Cg_endo -74.63 153.95 99.42 Favored 'Cis proline' 0 C--N 1.343 0.247 0 C-N-CA 123.04 -1.65 . . . . 0.0 112.385 0.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 31.9 Cg_exo -58.1 144.49 94.91 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.788 2.326 . . . . 0.0 112.228 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 116.13 25.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -116.58 68.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.403 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 39.0 m -101.35 156.11 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -63.25 156.94 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.96 57.19 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.9 p -128.94 162.92 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 1.7 mp -116.65 120.48 34.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.7 Cg_endo -77.3 152.18 93.83 Favored 'Cis proline' 0 C--N 1.344 0.296 0 C-N-CA 123.121 -1.616 . . . . 0.0 112.324 0.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 44.7 Cg_exo -56.37 129.32 34.15 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.731 2.287 . . . . 0.0 112.177 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -129.08 158.41 39.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.954 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 9.4 m -124.53 145.92 49.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.902 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m -102.99 165.64 10.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.9 p -89.32 153.38 20.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.64 57.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -117.44 163.36 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -126.04 110.29 24.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.4 150.51 94.95 Favored 'Cis proline' 0 C--N 1.344 0.295 0 C-N-CA 123.06 -1.642 . . . . 0.0 112.381 -0.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.73 135.88 26.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.59 158.57 38.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.59 168.68 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.69 161.82 13.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 p -66.44 156.25 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.89 57.89 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 53.9 p -145.66 157.0 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' ' C ' ' A' ' 7' ' ' PRO . 32.5 mt -113.0 124.94 30.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 6' ' ' ILE . 55.6 Cg_endo -69.98 148.38 87.11 Favored 'Cis proline' 0 C--N 1.344 0.333 0 C-N-CA 123.127 -1.614 . . . . 0.0 112.289 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 5' ' ' SER . 61.4 Cg_endo -73.53 132.93 18.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.772 2.315 . . . . 0.0 112.308 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.54 151.52 49.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.25 128.17 55.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.503 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 51.8 m -103.02 154.3 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 5' ' ' SER . 12.4 p -102.05 155.31 18.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.23 60.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' THR . 77.5 p -118.68 162.09 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 2.4 mp -128.69 111.95 19.03 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.3 151.71 96.81 Favored 'Cis proline' 0 C--N 1.343 0.253 0 C-N-CA 123.094 -1.627 . . . . 0.0 112.357 0.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.02 131.95 20.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -125.68 158.96 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -123.33 167.35 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.968 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 m -101.11 146.87 26.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.812 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.0 p -73.68 141.11 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.32 63.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 p -138.13 158.28 44.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' C ' ' A' ' 7' ' ' PRO . 3.1 mp -121.67 121.05 28.43 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 6' ' ' ILE . 48.9 Cg_endo -68.87 148.78 85.29 Favored 'Cis proline' 0 C--N 1.344 0.336 0 C-N-CA 123.154 -1.602 . . . . 0.0 112.211 0.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -73.87 133.73 18.82 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.676 2.25 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -126.18 148.41 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 1.8 m -110.98 170.69 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.996 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.515 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 93.6 m -99.07 160.54 14.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.3 p -79.25 151.9 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 61.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 3' ' ' THR . 5.8 p -129.49 151.92 49.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.28 118.45 27.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 54.8 Cg_endo -69.82 150.22 89.96 Favored 'Cis proline' 0 C--N 1.344 0.337 0 C-N-CA 123.082 -1.632 . . . . 0.0 112.337 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 39.6 Cg_exo -60.07 144.6 99.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.787 2.324 . . . . 0.0 112.202 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' OE1' ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -132.97 143.32 49.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.976 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.515 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -124.8 101.8 7.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.6 m -136.61 163.96 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.8 OUTLIER -79.01 136.36 37.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.51 65.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' THR . 23.3 p -138.97 162.4 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.9 mt -125.26 114.95 25.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.7 149.45 90.86 Favored 'Cis proline' 0 C--N 1.345 0.386 0 C-N-CA 123.095 -1.627 . . . . 0.0 112.344 0.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.99 140.93 39.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.302 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -115.29 132.88 56.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.26 106.95 12.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.874 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.484 ' HE2' ' HB3' ' A' ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -103.28 156.63 17.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -90.86 158.21 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.26 63.53 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -141.03 153.91 45.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mm -113.59 120.82 38.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.075 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.85 149.95 94.68 Favored 'Cis proline' 0 C--N 1.345 0.368 0 C-N-CA 123.116 -1.618 . . . . 0.0 112.284 0.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.68 129.14 19.28 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.738 2.292 . . . . 0.0 112.226 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.467 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.3 pt20 -114.09 142.75 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.985 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.92 149.02 39.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.96 179.868 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 74.4 m -100.72 162.83 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.963 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 p -64.19 153.61 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.779 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.9 56.85 2.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -125.74 163.47 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 19.8 mm -118.53 117.55 34.33 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 80.6 Cg_endo -77.78 152.33 92.53 Favored 'Cis proline' 0 C--N 1.345 0.352 0 C-N-CA 123.245 -1.564 . . . . 0.0 112.447 -0.017 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 39.2 Cg_exo -60.3 132.21 42.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.746 2.297 . . . . 0.0 112.247 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 7.0 tt0 -131.86 149.38 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.965 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.17 147.9 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.762 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.447 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.0 m -108.1 162.81 13.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 5' ' ' SER . 4.6 p -98.0 142.36 29.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.44 59.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 3' ' ' THR . 67.5 p -123.2 163.31 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.8 mt -118.73 115.28 35.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.9 Cg_endo -76.99 153.39 96.04 Favored 'Cis proline' 0 C--N 1.345 0.357 0 C-N-CA 123.138 -1.609 . . . . 0.0 112.432 -0.019 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.81 122.76 9.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.676 2.251 . . . . 0.0 112.239 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -128.1 160.2 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 7.9 m -113.85 150.04 34.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.435 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -103.67 155.15 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.971 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' GLN . 13.3 p -66.22 161.6 21.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.74 55.91 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.49 ' OG ' ' HG2' ' A' ' 9' ' ' GLN . 3.0 p -114.06 163.92 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 7.9 mm -123.94 109.17 29.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 73.2 Cg_endo -75.94 152.83 97.22 Favored 'Cis proline' 0 C--N 1.344 0.323 0 C-N-CA 123.102 -1.624 . . . . 0.0 112.459 -0.012 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 37.6 Cg_exo -56.93 142.69 93.34 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.274 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HG2' ' OG ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -131.2 159.6 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 2.3 m -126.59 170.21 12.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.52 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 67.0 m -101.93 156.38 17.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 5' ' ' SER . 2.9 p -60.93 146.02 48.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.41 63.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.769 ' C ' HD12 ' A' ' 6' ' ' ILE . 7.0 p -139.42 154.62 47.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.769 HD12 ' C ' ' A' ' 5' ' ' SER . 1.1 mp -112.89 119.55 42.59 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 73.2 Cg_endo -76.0 152.18 96.32 Favored 'Cis proline' 0 C--N 1.344 0.332 0 C-N-CA 123.123 -1.615 . . . . 0.0 112.339 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 50.5 Cg_exo -55.59 133.17 56.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.228 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 1.1 tt0 -115.84 137.49 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -124.04 170.56 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.512 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 75.8 m -104.99 163.77 12.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.631 HG23 ' HE1' ' A' ' 11' ' ' TYR . 19.0 p -74.03 166.42 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.24 62.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.573 ' O ' HD13 ' A' ' 6' ' ' ILE . 96.2 p -120.92 163.55 18.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 5' ' ' SER . 2.6 mm -126.22 107.24 24.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.2 Cg_endo -75.56 158.52 98.3 Favored 'Cis proline' 0 C--N 1.344 0.298 0 C-N-CA 123.019 -1.659 . . . . 0.0 112.357 0.13 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 143.31 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.172 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -123.08 141.01 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -122.15 154.4 37.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.631 ' HE1' HG23 ' A' ' 3' ' ' THR . 12.1 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -103.3 156.49 17.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' SER . 1.2 p -113.79 154.25 27.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 60.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' THR . 66.7 p -117.25 163.22 16.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 34.3 mt -127.25 111.28 21.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 71.6 Cg_endo -77.11 158.03 96.61 Favored 'Cis proline' 0 C--N 1.345 0.35 0 C-N-CA 123.16 -1.6 . . . . 0.0 112.424 -0.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.97 132.61 21.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.813 2.342 . . . . 0.0 112.264 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -123.24 146.86 47.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.891 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.57 76.37 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.97 179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.479 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 10' ' ' CYS . 64.1 m -105.07 163.83 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 5' ' ' SER . 29.0 p -64.97 147.07 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.8 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.82 61.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' THR . 81.2 p -120.4 164.37 16.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 3.1 mt -126.28 106.3 24.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 70.7 Cg_endo -74.45 156.67 99.78 Favored 'Cis proline' 0 C--N 1.343 0.263 0 C-N-CA 123.038 -1.651 . . . . 0.0 112.384 0.096 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.63 135.73 22.33 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.802 2.335 . . . . 0.0 112.239 179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 50.5 mt-30 -130.84 154.65 47.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 85.1 m -111.18 130.98 55.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.869 -179.958 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.83 163.91 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.7 p -99.68 154.39 18.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 58.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.597 ' C ' HD12 ' A' ' 6' ' ' ILE . 89.5 p -103.65 163.24 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.597 HD12 ' C ' ' A' ' 5' ' ' SER . 3.4 mp -127.92 103.75 21.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -74.69 152.53 98.34 Favored 'Cis proline' 0 C--N 1.343 0.259 0 C-N-CA 122.994 -1.669 . . . . 0.0 112.346 0.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HA ' ' OG ' ' A' ' 5' ' ' SER . 38.1 Cg_exo -57.22 133.76 59.59 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.752 2.301 . . . . 0.0 112.254 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -130.3 159.19 37.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.09 157.47 22.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.926 179.925 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' NLE . . . . . 0.485 ' C ' ' SG ' ' A' ' 10' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 99.0 m -101.93 156.67 17.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' SER . 17.6 p -73.36 147.08 44.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.41 60.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' THR . 1.8 p -111.67 163.31 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 4.2 mt -124.82 105.18 29.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 74.0 Cg_endo -75.75 156.27 99.02 Favored 'Cis proline' 0 C--N 1.343 0.248 0 C-N-CA 123.056 -1.643 . . . . 0.0 112.355 0.121 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.52 139.03 47.71 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.764 2.309 . . . . 0.0 112.182 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 tt0 -132.12 160.73 35.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' SG ' ' C ' ' A' ' 1' ' ' NLE . 1.8 m -122.25 104.94 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 stop_ save_