data_1gm2_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 1gm2 _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 . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -107.5 38.21 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.47 163.92 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.64 105.0 44.16 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.68 157.54 96.65 Favored 'Cis proline' 0 C--N 1.356 0.96 0 C-N-CA 124.328 -1.113 . . . . 0.0 112.468 0.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 146.63 46.76 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.293 1.995 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -113.75 136.36 52.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -111.71 137.72 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.868 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -107.27 36.3 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.91 165.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.83 101.26 11.71 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.05 155.23 62.53 Favored 'Cis proline' 0 C--N 1.355 0.91 0 C-N-CA 124.33 -1.113 . . . . 0.0 112.389 0.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.68 157.0 44.43 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.328 2.019 . . . . 0.0 112.328 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -107.65 115.02 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.3 m -104.47 137.53 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.872 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -97.8 39.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -85.33 165.0 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.7 mm -129.34 99.96 20.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.79 171.88 55.82 Favored 'Cis proline' 0 C--N 1.356 0.939 0 C-N-CA 124.233 -1.153 . . . . 0.0 112.485 0.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.9 151.38 45.35 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.318 2.012 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.42 136.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.9 m -106.13 139.52 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.759 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.942 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.856 0.36 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 34.36 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.01 166.59 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.4 96.41 36.26 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.77 171.8 52.02 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 124.111 -1.204 . . . . 0.0 112.412 0.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.87 152.55 41.6 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.311 2.007 . . . . 0.0 112.388 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -114.47 120.9 41.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -107.31 137.55 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.792 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -89.99 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.11 101.69 51.35 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 165.84 84.26 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.284 -1.132 . . . . 0.0 112.539 0.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.97 152.46 46.34 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.325 2.017 . . . . 0.0 112.225 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -114.2 120.06 39.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.8 m -103.87 138.17 40.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.97 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.35 34.32 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -78.62 164.93 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.28 97.76 48.96 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.67 170.48 70.22 Favored 'Cis proline' 0 C--N 1.355 0.879 0 C-N-CA 124.157 -1.184 . . . . 0.0 112.408 0.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.8 150.86 50.6 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.323 2.016 . . . . 0.0 112.261 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 122.72 45.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -104.48 137.71 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.905 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.8 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -92.68 64.9 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.26 166.46 13.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.22 104.17 15.09 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.91 152.91 87.2 Favored 'Cis proline' 0 C--N 1.356 0.934 0 C-N-CA 124.293 -1.128 . . . . 0.0 112.379 0.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.23 147.45 42.3 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.221 1.947 . . . . 0.0 112.3 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -121.15 128.91 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 m -104.28 141.85 35.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -99.68 30.25 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -77.24 166.64 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.0 mt -126.08 99.82 31.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.97 155.26 99.68 Favored 'Cis proline' 0 C--N 1.356 0.951 0 C-N-CA 124.235 -1.152 . . . . 0.0 112.44 0.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.08 153.15 27.28 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.311 2.007 . . . . 0.0 112.258 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.67 108.17 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.0 m -99.77 137.6 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.951 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.758 0.313 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.07 44.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -104.31 161.19 14.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -131.63 106.99 14.25 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 147.16 72.6 Favored 'Cis proline' 0 C--N 1.356 0.965 0 C-N-CA 124.285 -1.131 . . . . 0.0 112.355 0.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.82 161.91 32.94 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.3 2.0 . . . . 0.0 112.306 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -132.3 126.56 33.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 m -102.87 138.32 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.821 0.343 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 31.93 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -114.9 163.47 15.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.55 127.73 26.51 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.72 149.18 93.67 Favored 'Cis proline' 0 C--N 1.357 0.992 0 C-N-CA 124.28 -1.133 . . . . 0.0 112.226 -0.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 111.84 2.93 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.237 1.958 . . . . 0.0 112.283 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.38 35.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.2 159.87 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.32 29.45 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.7 165.57 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.711 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -122.66 95.8 46.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.6 171.24 68.57 Favored 'Cis proline' 0 C--N 1.354 0.863 0 C-N-CA 124.239 -1.15 . . . . 0.0 112.498 0.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 141.92 46.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.247 1.965 . . . . 0.0 112.134 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -108.36 120.49 42.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.3 m -104.82 136.74 43.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.821 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.54 37.01 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 p -96.67 162.66 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mm -126.63 109.29 22.91 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.41 149.37 91.99 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.3 -1.125 . . . . 0.0 112.41 0.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.96 146.74 47.96 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.294 1.996 . . . . 0.0 112.255 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.83 145.56 49.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.8 m -103.83 139.63 38.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 30.65 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -77.88 165.4 24.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.12 98.18 49.08 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.89 168.42 76.6 Favored 'Cis proline' 0 C--N 1.354 0.868 0 C-N-CA 124.185 -1.173 . . . . 0.0 112.37 0.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 147.67 47.78 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.292 1.995 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.27 123.76 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.88 138.06 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -99.44 34.89 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -93.7 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.3 mt -126.37 105.18 24.62 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.26 148.54 92.16 Favored 'Cis proline' 0 C--N 1.358 1.035 0 C-N-CA 124.264 -1.14 . . . . 0.0 112.361 0.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.12 161.38 44.82 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.217 1.945 . . . . 0.0 112.285 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -133.29 131.74 40.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.0 m -103.26 138.06 40.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.786 0.327 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 55.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -125.71 165.61 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -126.3 105.18 24.87 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.78 148.24 88.6 Favored 'Cis proline' 0 C--N 1.355 0.903 0 C-N-CA 124.305 -1.123 . . . . 0.0 112.316 0.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.56 158.27 28.69 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.282 1.988 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -109.83 118.73 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -104.03 162.12 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.943 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.03 43.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -131.82 153.38 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mm -106.68 127.05 28.86 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.14 154.77 96.94 Favored 'Cis proline' 0 C--N 1.357 1.0 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.257 0.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.91 136.6 35.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.291 1.994 . . . . 0.0 112.394 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.88 131.99 47.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.8 m -105.43 158.31 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.833 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.85 50.5 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.975 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 p -110.43 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.407 HD11 HG22 ' A' ' 6' ' ' ILE . 30.2 mm -126.19 104.6 25.58 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.12 151.7 96.27 Favored 'Cis proline' 0 C--N 1.357 0.982 0 C-N-CA 124.282 -1.132 . . . . 0.0 112.476 0.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.06 135.92 21.73 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.337 2.025 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.9 143.95 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.65 152.22 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.906 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 36.72 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -128.55 159.53 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.0 mm -108.6 128.61 25.26 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 157.42 96.55 Favored 'Cis proline' 0 C--N 1.357 1.009 0 C-N-CA 124.358 -1.101 . . . . 0.0 112.255 0.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.82 124.31 11.74 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.231 1.954 . . . . 0.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.8 130.65 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 m -108.41 162.69 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.82 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.841 0.353 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -95.88 59.19 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -113.44 166.22 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mm -134.66 104.38 10.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.33 151.75 80.89 Favored 'Cis proline' 0 C--N 1.356 0.962 0 C-N-CA 124.256 -1.143 . . . . 0.0 112.258 0.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.85 166.6 6.51 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.194 1.929 . . . . 0.0 112.378 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -129.64 109.22 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.34 159.73 15.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.843 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.81 65.15 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.101 0.476 . . . . 0.0 110.787 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -132.57 166.78 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.42 108.74 16.12 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.57 149.51 79.5 Favored 'Cis proline' 0 C--N 1.356 0.968 0 C-N-CA 124.291 -1.129 . . . . 0.0 112.391 0.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.58 149.44 55.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.267 1.978 . . . . 0.0 112.264 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -108.27 114.02 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.8 m -107.4 143.24 36.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.898 -179.895 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.338 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.84 67.5 9.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -138.21 166.59 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.59 107.18 36.66 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.1 149.09 93.1 Favored 'Cis proline' 0 C--N 1.355 0.915 0 C-N-CA 124.324 -1.115 . . . . 0.0 112.482 0.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.59 147.02 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.273 1.982 . . . . 0.0 112.209 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.67 130.07 56.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 m -104.67 154.1 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -98.65 71.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.21 167.46 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.7 mm -123.83 104.02 33.55 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.43 157.4 99.48 Favored 'Cis proline' 0 C--N 1.355 0.908 0 C-N-CA 124.298 -1.126 . . . . 0.0 112.406 0.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.14 136.77 22.82 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.43 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -110.45 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.7 m -100.81 138.24 38.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.861 -179.905 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.0 33.36 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -107.39 162.18 14.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.72 116.12 43.45 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.09 152.34 96.88 Favored 'Cis proline' 0 C--N 1.358 1.038 0 C-N-CA 124.334 -1.111 . . . . 0.0 112.447 -0.015 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.69 145.44 41.39 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.29 1.993 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -118.64 152.89 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 m -135.58 157.84 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.839 -179.953 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.918 0.39 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 32.79 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -80.98 166.01 21.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.1 mt -118.6 99.45 51.39 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.66 167.46 80.09 Favored 'Cis proline' 0 C--N 1.356 0.958 0 C-N-CA 124.295 -1.127 . . . . 0.0 112.438 0.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.74 143.64 42.19 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.222 1.948 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.8 125.0 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.13 153.2 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.929 -179.928 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.772 0.32 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.41 63.93 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -118.34 166.82 12.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mm -126.31 103.07 26.19 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.7 154.93 99.04 Favored 'Cis proline' 0 C--N 1.356 0.97 0 C-N-CA 124.299 -1.125 . . . . 0.0 112.44 0.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.96 147.85 44.31 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.315 2.01 . . . . 0.0 112.232 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.32 147.99 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -105.79 139.83 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.858 -179.906 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.02 39.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.07 166.64 16.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.66 100.04 15.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.04 160.37 71.62 Favored 'Cis proline' 0 C--N 1.356 0.923 0 C-N-CA 124.226 -1.156 . . . . 0.0 112.378 0.068 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.47 137.02 29.8 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.224 1.95 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.28 130.15 55.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.774 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.63 166.59 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 41.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.05 166.72 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.9 102.65 17.57 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.71 145.54 84.32 Favored 'Cis proline' 0 C--N 1.357 0.978 0 C-N-CA 124.167 -1.18 . . . . 0.0 112.352 0.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.18 166.76 28.2 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.16 1.906 . . . . 0.0 112.31 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -123.52 119.54 30.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -104.3 138.19 41.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.807 0.337 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -108.66 38.2 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -126.57 157.58 38.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.62 129.67 24.09 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.98 152.69 97.09 Favored 'Cis proline' 0 C--N 1.357 0.999 0 C-N-CA 124.227 -1.156 . . . . 0.0 112.211 -0.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 114.96 3.65 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.339 2.026 . . . . 0.0 112.278 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.02 140.28 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 161.71 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.806 0.336 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 37.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -89.04 166.74 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.0 102.41 37.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.52 161.96 92.99 Favored 'Cis proline' 0 C--N 1.357 1.008 0 C-N-CA 124.223 -1.157 . . . . 0.0 112.427 0.151 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.96 157.01 34.61 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.316 2.01 . . . . 0.0 112.41 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -127.52 126.09 41.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.0 m -101.06 138.21 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.75 31.19 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -76.8 166.32 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.62 97.71 24.01 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.36 164.7 70.86 Favored 'Cis proline' 0 C--N 1.355 0.89 0 C-N-CA 124.157 -1.185 . . . . 0.0 112.33 -0.057 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.14 164.58 33.38 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.278 1.985 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.14 116.7 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.788 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.3 m -107.3 137.83 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.911 0.386 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m -102.24 135.57 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -61.02 176.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -107.5 38.21 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.47 163.92 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.64 105.0 44.16 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.68 157.54 96.65 Favored 'Cis proline' 0 C--N 1.356 0.96 0 C-N-CA 124.328 -1.113 . . . . 0.0 112.468 0.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 146.63 46.76 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.293 1.995 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -113.75 136.36 52.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -111.71 137.72 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.868 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.886 0.374 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m -137.91 171.9 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p -87.79 -169.81 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -107.27 36.3 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.91 165.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.83 101.26 11.71 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.05 155.23 62.53 Favored 'Cis proline' 0 C--N 1.355 0.91 0 C-N-CA 124.33 -1.113 . . . . 0.0 112.389 0.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.68 157.0 44.43 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.328 2.019 . . . . 0.0 112.328 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -107.65 115.02 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.3 m -104.47 137.53 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.872 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 m -100.51 157.71 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -86.61 -169.78 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -97.8 39.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -85.33 165.0 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.7 mm -129.34 99.96 20.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.79 171.88 55.82 Favored 'Cis proline' 0 C--N 1.356 0.939 0 C-N-CA 124.233 -1.153 . . . . 0.0 112.485 0.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.9 151.38 45.35 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.318 2.012 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.42 136.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.9 m -106.13 139.52 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.759 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.942 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 m -137.68 151.61 48.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 p -98.86 -172.82 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 34.36 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.01 166.59 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.4 96.41 36.26 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.77 171.8 52.02 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 124.111 -1.204 . . . . 0.0 112.412 0.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.87 152.55 41.6 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.311 2.007 . . . . 0.0 112.388 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -114.47 120.9 41.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -107.31 137.55 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.792 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.834 0.349 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m -99.0 141.1 32.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 p -65.77 161.15 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -89.99 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.11 101.69 51.35 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 165.84 84.26 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.284 -1.132 . . . . 0.0 112.539 0.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.97 152.46 46.34 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.325 2.017 . . . . 0.0 112.225 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -114.2 120.06 39.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.8 m -103.87 138.17 40.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.97 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.803 0.335 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m -138.14 143.78 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -86.69 -175.24 5.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.35 34.32 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -78.62 164.93 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.28 97.76 48.96 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.67 170.48 70.22 Favored 'Cis proline' 0 C--N 1.355 0.879 0 C-N-CA 124.157 -1.184 . . . . 0.0 112.408 0.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.8 150.86 50.6 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.323 2.016 . . . . 0.0 112.261 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 122.72 45.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -104.48 137.71 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.905 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.762 0.315 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.0 m -100.43 147.18 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.8 p -65.11 161.71 18.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -92.68 64.9 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.26 166.46 13.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.22 104.17 15.09 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.91 152.91 87.2 Favored 'Cis proline' 0 C--N 1.356 0.934 0 C-N-CA 124.293 -1.128 . . . . 0.0 112.379 0.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.23 147.45 42.3 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.221 1.947 . . . . 0.0 112.3 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -121.15 128.91 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 m -104.28 141.85 35.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.819 0.343 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -60.06 -177.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -99.68 30.25 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -77.24 166.64 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.0 mt -126.08 99.82 31.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.97 155.26 99.68 Favored 'Cis proline' 0 C--N 1.356 0.951 0 C-N-CA 124.235 -1.152 . . . . 0.0 112.44 0.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.08 153.15 27.28 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.311 2.007 . . . . 0.0 112.258 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.67 108.17 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.0 m -99.77 137.6 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.951 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.6 m -102.12 140.97 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p -60.12 166.73 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.07 44.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -104.31 161.19 14.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -131.63 106.99 14.25 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 147.16 72.6 Favored 'Cis proline' 0 C--N 1.356 0.965 0 C-N-CA 124.285 -1.131 . . . . 0.0 112.355 0.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.82 161.91 32.94 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.3 2.0 . . . . 0.0 112.306 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -132.3 126.56 33.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 m -102.87 138.32 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.8 132.6 47.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p -60.57 171.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 31.93 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -114.9 163.47 15.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.55 127.73 26.51 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.72 149.18 93.67 Favored 'Cis proline' 0 C--N 1.357 0.992 0 C-N-CA 124.28 -1.133 . . . . 0.0 112.226 -0.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 111.84 2.93 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.237 1.958 . . . . 0.0 112.283 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.38 35.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.2 159.87 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.0 m -101.56 114.78 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -69.71 -172.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.32 29.45 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.7 165.57 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.711 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -122.66 95.8 46.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.6 171.24 68.57 Favored 'Cis proline' 0 C--N 1.354 0.863 0 C-N-CA 124.239 -1.15 . . . . 0.0 112.498 0.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 141.92 46.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.247 1.965 . . . . 0.0 112.134 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -108.36 120.49 42.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.3 m -104.82 136.74 43.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.821 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.45 148.79 24.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -71.24 -179.67 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.54 37.01 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 p -96.67 162.66 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mm -126.63 109.29 22.91 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.41 149.37 91.99 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.3 -1.125 . . . . 0.0 112.41 0.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.96 146.74 47.96 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.294 1.996 . . . . 0.0 112.255 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.83 145.56 49.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.8 m -103.83 139.63 38.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.8 m -102.55 144.85 30.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 p -73.93 175.27 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 30.65 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -77.88 165.4 24.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.12 98.18 49.08 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.89 168.42 76.6 Favored 'Cis proline' 0 C--N 1.354 0.868 0 C-N-CA 124.185 -1.173 . . . . 0.0 112.37 0.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 147.67 47.78 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.292 1.995 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.27 123.76 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.88 138.06 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.823 0.345 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.6 m -139.86 140.95 36.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -60.91 163.51 5.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -99.44 34.89 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -93.7 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.3 mt -126.37 105.18 24.62 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.26 148.54 92.16 Favored 'Cis proline' 0 C--N 1.358 1.035 0 C-N-CA 124.264 -1.14 . . . . 0.0 112.361 0.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.12 161.38 44.82 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.217 1.945 . . . . 0.0 112.285 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -133.29 131.74 40.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.0 m -103.26 138.06 40.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.6 m -137.62 143.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 p -67.7 -173.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.005 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 55.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -125.71 165.61 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -126.3 105.18 24.87 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.78 148.24 88.6 Favored 'Cis proline' 0 C--N 1.355 0.903 0 C-N-CA 124.305 -1.123 . . . . 0.0 112.316 0.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.56 158.27 28.69 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.282 1.988 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -109.83 118.73 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -104.03 162.12 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.943 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.31 154.12 18.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.9 p -60.73 -172.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.03 43.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -131.82 153.38 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mm -106.68 127.05 28.86 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.14 154.77 96.94 Favored 'Cis proline' 0 C--N 1.357 1.0 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.257 0.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.91 136.6 35.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.291 1.994 . . . . 0.0 112.394 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.88 131.99 47.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.8 m -105.43 158.31 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.833 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.851 0.358 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.08 172.22 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p -60.12 168.09 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.85 50.5 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.975 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 p -110.43 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.407 HD11 HG22 ' A' ' 6' ' ' ILE . 30.2 mm -126.19 104.6 25.58 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.12 151.7 96.27 Favored 'Cis proline' 0 C--N 1.357 0.982 0 C-N-CA 124.282 -1.132 . . . . 0.0 112.476 0.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.06 135.92 21.73 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.337 2.025 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.9 143.95 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.65 152.22 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.906 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.85 0.357 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.91 155.91 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p -60.41 -177.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 36.72 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -128.55 159.53 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.0 mm -108.6 128.61 25.26 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 157.42 96.55 Favored 'Cis proline' 0 C--N 1.357 1.009 0 C-N-CA 124.358 -1.101 . . . . 0.0 112.255 0.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.82 124.31 11.74 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.231 1.954 . . . . 0.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.8 130.65 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 m -108.41 162.69 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.82 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.8 m -134.75 130.13 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.8 p -59.89 175.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -95.88 59.19 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -113.44 166.22 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mm -134.66 104.38 10.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.33 151.75 80.89 Favored 'Cis proline' 0 C--N 1.356 0.962 0 C-N-CA 124.256 -1.143 . . . . 0.0 112.258 0.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.85 166.6 6.51 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.194 1.929 . . . . 0.0 112.378 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -129.64 109.22 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.34 159.73 15.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.843 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.813 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -102.71 119.37 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -60.21 162.65 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.81 65.15 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.101 0.476 . . . . 0.0 110.787 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -132.57 166.78 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.42 108.74 16.12 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.57 149.51 79.5 Favored 'Cis proline' 0 C--N 1.356 0.968 0 C-N-CA 124.291 -1.129 . . . . 0.0 112.391 0.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.58 149.44 55.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.267 1.978 . . . . 0.0 112.264 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -108.27 114.02 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.8 m -107.4 143.24 36.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.898 -179.895 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.345 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 m -137.12 155.48 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -62.91 143.41 57.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.801 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.84 67.5 9.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -138.21 166.59 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.59 107.18 36.66 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.1 149.09 93.1 Favored 'Cis proline' 0 C--N 1.355 0.915 0 C-N-CA 124.324 -1.115 . . . . 0.0 112.482 0.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.59 147.02 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.273 1.982 . . . . 0.0 112.209 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.67 130.07 56.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 m -104.67 154.1 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m -102.66 162.59 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.5 p -64.04 163.05 13.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -98.65 71.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.21 167.46 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.7 mm -123.83 104.02 33.55 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.43 157.4 99.48 Favored 'Cis proline' 0 C--N 1.355 0.908 0 C-N-CA 124.298 -1.126 . . . . 0.0 112.406 0.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.14 136.77 22.82 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.43 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -110.45 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.7 m -100.81 138.24 38.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.861 -179.905 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.785 0.326 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -138.53 148.29 44.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -61.0 162.6 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.0 33.36 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -107.39 162.18 14.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.72 116.12 43.45 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.09 152.34 96.88 Favored 'Cis proline' 0 C--N 1.358 1.038 0 C-N-CA 124.334 -1.111 . . . . 0.0 112.447 -0.015 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.69 145.44 41.39 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.29 1.993 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -118.64 152.89 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 m -135.58 157.84 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.839 -179.953 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m -99.44 129.85 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -67.38 171.42 6.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 32.79 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -80.98 166.01 21.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.1 mt -118.6 99.45 51.39 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.66 167.46 80.09 Favored 'Cis proline' 0 C--N 1.356 0.958 0 C-N-CA 124.295 -1.127 . . . . 0.0 112.438 0.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.74 143.64 42.19 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.222 1.948 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.8 125.0 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.13 153.2 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.929 -179.928 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.74 145.91 28.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -76.89 176.63 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.41 63.93 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -118.34 166.82 12.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mm -126.31 103.07 26.19 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.7 154.93 99.04 Favored 'Cis proline' 0 C--N 1.356 0.97 0 C-N-CA 124.299 -1.125 . . . . 0.0 112.44 0.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.96 147.85 44.31 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.315 2.01 . . . . 0.0 112.232 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.32 147.99 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -105.79 139.83 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.858 -179.906 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.743 0.306 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.1 m -101.64 158.91 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -73.93 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.02 39.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.07 166.64 16.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.66 100.04 15.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.04 160.37 71.62 Favored 'Cis proline' 0 C--N 1.356 0.923 0 C-N-CA 124.226 -1.156 . . . . 0.0 112.378 0.068 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.47 137.02 29.8 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.224 1.95 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.28 130.15 55.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.774 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.63 166.59 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.836 0.351 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m -139.18 154.54 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -78.86 175.87 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 41.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.05 166.72 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.9 102.65 17.57 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.71 145.54 84.32 Favored 'Cis proline' 0 C--N 1.357 0.978 0 C-N-CA 124.167 -1.18 . . . . 0.0 112.352 0.003 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.18 166.76 28.2 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.16 1.906 . . . . 0.0 112.31 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -123.52 119.54 30.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -104.3 138.19 41.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.71 149.91 22.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p -60.08 -177.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -108.66 38.2 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -126.57 157.58 38.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.62 129.67 24.09 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.98 152.69 97.09 Favored 'Cis proline' 0 C--N 1.357 0.999 0 C-N-CA 124.227 -1.156 . . . . 0.0 112.211 -0.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 114.96 3.65 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.339 2.026 . . . . 0.0 112.278 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.02 140.28 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 161.71 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.26 134.82 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 37.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -89.04 166.74 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.0 102.41 37.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.52 161.96 92.99 Favored 'Cis proline' 0 C--N 1.357 1.008 0 C-N-CA 124.223 -1.157 . . . . 0.0 112.427 0.151 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.96 157.01 34.61 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.316 2.01 . . . . 0.0 112.41 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -127.52 126.09 41.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.0 m -101.06 138.21 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.1 m -101.41 143.18 31.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p -73.73 -179.27 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.75 31.19 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -76.8 166.32 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.62 97.71 24.01 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.36 164.7 70.86 Favored 'Cis proline' 0 C--N 1.355 0.89 0 C-N-CA 124.157 -1.185 . . . . 0.0 112.33 -0.057 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.14 164.58 33.38 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.278 1.985 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.14 116.7 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.788 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.3 m -107.3 137.83 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -107.5 38.21 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.47 163.92 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.64 105.0 44.16 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.68 157.54 96.65 Favored 'Cis proline' 0 C--N 1.356 0.96 0 C-N-CA 124.328 -1.113 . . . . 0.0 112.468 0.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 146.63 46.76 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.293 1.995 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -113.75 136.36 52.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -111.71 137.72 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.868 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -107.27 36.3 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.91 165.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.83 101.26 11.71 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.05 155.23 62.53 Favored 'Cis proline' 0 C--N 1.355 0.91 0 C-N-CA 124.33 -1.113 . . . . 0.0 112.389 0.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.68 157.0 44.43 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.328 2.019 . . . . 0.0 112.328 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -107.65 115.02 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.3 m -104.47 137.53 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.872 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -97.8 39.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' HD13 ' A' ' 6' ' ' ILE . 3.9 p -85.33 165.0 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 5' ' ' SER . 26.7 mm -129.34 99.96 20.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.79 171.88 55.82 Favored 'Cis proline' 0 C--N 1.356 0.939 0 C-N-CA 124.233 -1.153 . . . . 0.0 112.485 0.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.9 151.38 45.35 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.318 2.012 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.42 136.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.9 m -106.13 139.52 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.759 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.942 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.856 0.36 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 34.36 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.01 166.59 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.4 96.41 36.26 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.77 171.8 52.02 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 124.111 -1.204 . . . . 0.0 112.412 0.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.87 152.55 41.6 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.311 2.007 . . . . 0.0 112.388 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -114.47 120.9 41.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -107.31 137.55 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.792 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -89.99 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.11 101.69 51.35 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 165.84 84.26 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.284 -1.132 . . . . 0.0 112.539 0.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.97 152.46 46.34 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.325 2.017 . . . . 0.0 112.225 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -114.2 120.06 39.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.8 m -103.87 138.17 40.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.97 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.35 34.32 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -78.62 164.93 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.28 97.76 48.96 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.67 170.48 70.22 Favored 'Cis proline' 0 C--N 1.355 0.879 0 C-N-CA 124.157 -1.184 . . . . 0.0 112.408 0.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.8 150.86 50.6 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.323 2.016 . . . . 0.0 112.261 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 122.72 45.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -104.48 137.71 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.905 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.8 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -92.68 64.9 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.26 166.46 13.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.22 104.17 15.09 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.91 152.91 87.2 Favored 'Cis proline' 0 C--N 1.356 0.934 0 C-N-CA 124.293 -1.128 . . . . 0.0 112.379 0.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.23 147.45 42.3 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.221 1.947 . . . . 0.0 112.3 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -121.15 128.91 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 m -104.28 141.85 35.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -99.68 30.25 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -77.24 166.64 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.0 mt -126.08 99.82 31.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.97 155.26 99.68 Favored 'Cis proline' 0 C--N 1.356 0.951 0 C-N-CA 124.235 -1.152 . . . . 0.0 112.44 0.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.08 153.15 27.28 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.311 2.007 . . . . 0.0 112.258 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.67 108.17 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.0 m -99.77 137.6 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.951 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.758 0.313 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.07 44.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -104.31 161.19 14.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -131.63 106.99 14.25 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 147.16 72.6 Favored 'Cis proline' 0 C--N 1.356 0.965 0 C-N-CA 124.285 -1.131 . . . . 0.0 112.355 0.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.82 161.91 32.94 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.3 2.0 . . . . 0.0 112.306 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -132.3 126.56 33.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 m -102.87 138.32 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.821 0.343 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 31.93 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -114.9 163.47 15.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.6 mp -110.55 127.73 26.51 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.72 149.18 93.67 Favored 'Cis proline' 0 C--N 1.357 0.992 0 C-N-CA 124.28 -1.133 . . . . 0.0 112.226 -0.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 111.84 2.93 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.237 1.958 . . . . 0.0 112.283 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.38 35.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.2 159.87 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.32 29.45 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.7 165.57 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.711 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -122.66 95.8 46.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.6 171.24 68.57 Favored 'Cis proline' 0 C--N 1.354 0.863 0 C-N-CA 124.239 -1.15 . . . . 0.0 112.498 0.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 141.92 46.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.247 1.965 . . . . 0.0 112.134 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -108.36 120.49 42.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.3 m -104.82 136.74 43.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.821 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.54 37.01 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' HD13 ' A' ' 6' ' ' ILE . 66.7 p -96.67 162.66 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 5' ' ' SER . 28.7 mm -126.63 109.29 22.91 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.41 149.37 91.99 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.3 -1.125 . . . . 0.0 112.41 0.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.96 146.74 47.96 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.294 1.996 . . . . 0.0 112.255 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.83 145.56 49.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.8 m -103.83 139.63 38.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 30.65 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -77.88 165.4 24.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.12 98.18 49.08 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.89 168.42 76.6 Favored 'Cis proline' 0 C--N 1.354 0.868 0 C-N-CA 124.185 -1.173 . . . . 0.0 112.37 0.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 147.67 47.78 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.292 1.995 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.27 123.76 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.88 138.06 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -99.44 34.89 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -93.7 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 6.3 mt -126.37 105.18 24.62 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.2 Cg_endo -74.26 148.54 92.16 Favored 'Cis proline' 0 C--N 1.358 1.035 0 C-N-CA 124.264 -1.14 . . . . 0.0 112.361 0.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.12 161.38 44.82 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.217 1.945 . . . . 0.0 112.285 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -133.29 131.74 40.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.0 m -103.26 138.06 40.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 9' ' ' GLN . 25.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.786 0.327 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 55.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -125.71 165.61 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -126.3 105.18 24.87 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.78 148.24 88.6 Favored 'Cis proline' 0 C--N 1.355 0.903 0 C-N-CA 124.305 -1.123 . . . . 0.0 112.316 0.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.56 158.27 28.69 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.282 1.988 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 3' ' ' THR . 46.3 mt-30 -109.83 118.73 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -104.03 162.12 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.943 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.03 43.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -131.82 153.38 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mm -106.68 127.05 28.86 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.14 154.77 96.94 Favored 'Cis proline' 0 C--N 1.357 1.0 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.257 0.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.91 136.6 35.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.291 1.994 . . . . 0.0 112.394 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.88 131.99 47.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.8 m -105.43 158.31 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.833 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.85 50.5 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.975 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' HD13 ' A' ' 6' ' ' ILE . 30.9 p -110.43 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 5' ' ' SER . 30.2 mm -126.19 104.6 25.58 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.12 151.7 96.27 Favored 'Cis proline' 0 C--N 1.357 0.982 0 C-N-CA 124.282 -1.132 . . . . 0.0 112.476 0.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.06 135.92 21.73 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.337 2.025 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.9 143.95 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.65 152.22 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.906 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 36.72 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -128.55 159.53 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.0 mm -108.6 128.61 25.26 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 157.42 96.55 Favored 'Cis proline' 0 C--N 1.357 1.009 0 C-N-CA 124.358 -1.101 . . . . 0.0 112.255 0.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.82 124.31 11.74 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.231 1.954 . . . . 0.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.8 130.65 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 m -108.41 162.69 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.82 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.841 0.353 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -95.88 59.19 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.664 ' O ' HD13 ' A' ' 6' ' ' ILE . 89.5 p -113.44 166.22 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.664 HD13 ' O ' ' A' ' 5' ' ' SER . 29.8 mm -134.66 104.38 10.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 38.6 Cg_endo -66.33 151.75 80.89 Favored 'Cis proline' 0 C--N 1.356 0.962 0 C-N-CA 124.256 -1.143 . . . . 0.0 112.258 0.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 31.8 Cg_exo -58.85 166.6 6.51 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.194 1.929 . . . . 0.0 112.378 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -129.64 109.22 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.34 159.73 15.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.843 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.81 65.15 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.101 0.476 . . . . 0.0 110.787 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -132.57 166.78 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.42 108.74 16.12 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.57 149.51 79.5 Favored 'Cis proline' 0 C--N 1.356 0.968 0 C-N-CA 124.291 -1.129 . . . . 0.0 112.391 0.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.58 149.44 55.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.267 1.978 . . . . 0.0 112.264 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -108.27 114.02 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.8 m -107.4 143.24 36.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.898 -179.895 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.338 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.84 67.5 9.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -138.21 166.59 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.59 107.18 36.66 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.1 149.09 93.1 Favored 'Cis proline' 0 C--N 1.355 0.915 0 C-N-CA 124.324 -1.115 . . . . 0.0 112.482 0.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.59 147.02 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.273 1.982 . . . . 0.0 112.209 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.67 130.07 56.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 m -104.67 154.1 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -98.65 71.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.21 167.46 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.7 mm -123.83 104.02 33.55 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.43 157.4 99.48 Favored 'Cis proline' 0 C--N 1.355 0.908 0 C-N-CA 124.298 -1.126 . . . . 0.0 112.406 0.031 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.14 136.77 22.82 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.43 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -110.45 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.7 m -100.81 138.24 38.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.861 -179.905 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.0 33.36 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -107.39 162.18 14.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.72 116.12 43.45 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.09 152.34 96.88 Favored 'Cis proline' 0 C--N 1.358 1.038 0 C-N-CA 124.334 -1.111 . . . . 0.0 112.447 -0.015 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.69 145.44 41.39 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.29 1.993 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -118.64 152.89 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 m -135.58 157.84 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.839 -179.953 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.918 0.39 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 32.79 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -80.98 166.01 21.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.1 mt -118.6 99.45 51.39 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.66 167.46 80.09 Favored 'Cis proline' 0 C--N 1.356 0.958 0 C-N-CA 124.295 -1.127 . . . . 0.0 112.438 0.096 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.74 143.64 42.19 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.222 1.948 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.8 125.0 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.13 153.2 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.929 -179.928 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.772 0.32 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.41 63.93 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -118.34 166.82 12.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mm -126.31 103.07 26.19 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.7 154.93 99.04 Favored 'Cis proline' 0 C--N 1.356 0.97 0 C-N-CA 124.299 -1.125 . . . . 0.0 112.44 0.054 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.96 147.85 44.31 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.315 2.01 . . . . 0.0 112.232 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.32 147.99 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -105.79 139.83 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.858 -179.906 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.02 39.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.07 166.64 16.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.66 100.04 15.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.04 160.37 71.62 Favored 'Cis proline' 0 C--N 1.356 0.923 0 C-N-CA 124.226 -1.156 . . . . 0.0 112.378 0.068 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.47 137.02 29.8 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.224 1.95 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.28 130.15 55.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.774 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.63 166.59 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 41.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.05 166.72 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.1 mp -129.9 102.65 17.57 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.71 145.54 84.32 Favored 'Cis proline' 0 C--N 1.357 0.978 0 C-N-CA 124.167 -1.18 . . . . 0.0 112.352 0.003 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.18 166.76 28.2 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.16 1.906 . . . . 0.0 112.31 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -123.52 119.54 30.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -104.3 138.19 41.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.807 0.337 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -108.66 38.2 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -126.57 157.58 38.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.62 129.67 24.09 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.98 152.69 97.09 Favored 'Cis proline' 0 C--N 1.357 0.999 0 C-N-CA 124.227 -1.156 . . . . 0.0 112.211 -0.012 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 114.96 3.65 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.339 2.026 . . . . 0.0 112.278 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.02 140.28 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 161.71 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.806 0.336 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 37.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -89.04 166.74 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.0 102.41 37.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.52 161.96 92.99 Favored 'Cis proline' 0 C--N 1.357 1.008 0 C-N-CA 124.223 -1.157 . . . . 0.0 112.427 0.151 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.96 157.01 34.61 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.316 2.01 . . . . 0.0 112.41 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -127.52 126.09 41.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.0 m -101.06 138.21 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.75 31.19 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -76.8 166.32 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.9 mp -129.62 97.71 24.01 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.36 164.7 70.86 Favored 'Cis proline' 0 C--N 1.355 0.89 0 C-N-CA 124.157 -1.185 . . . . 0.0 112.33 -0.057 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.14 164.58 33.38 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.278 1.985 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.14 116.7 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.788 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.3 m -107.3 137.83 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.911 0.386 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m -102.24 135.57 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -61.02 176.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -107.5 38.21 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.47 163.92 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.64 105.0 44.16 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.68 157.54 96.65 Favored 'Cis proline' 0 C--N 1.356 0.96 0 C-N-CA 124.328 -1.113 . . . . 0.0 112.468 0.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 146.63 46.76 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.293 1.995 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -113.75 136.36 52.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -111.71 137.72 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.868 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.886 0.374 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m -137.91 171.9 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p -87.79 -169.81 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -107.27 36.3 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.91 165.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.83 101.26 11.71 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.05 155.23 62.53 Favored 'Cis proline' 0 C--N 1.355 0.91 0 C-N-CA 124.33 -1.113 . . . . 0.0 112.389 0.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.68 157.0 44.43 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.328 2.019 . . . . 0.0 112.328 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -107.65 115.02 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.3 m -104.47 137.53 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.872 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 m -100.51 157.71 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -86.61 -169.78 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -97.8 39.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' HD13 ' A' ' 6' ' ' ILE . 3.9 p -85.33 165.0 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 5' ' ' SER . 26.7 mm -129.34 99.96 20.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.79 171.88 55.82 Favored 'Cis proline' 0 C--N 1.356 0.939 0 C-N-CA 124.233 -1.153 . . . . 0.0 112.485 0.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.9 151.38 45.35 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.318 2.012 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.42 136.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.9 m -106.13 139.52 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.759 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.942 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 m -137.68 151.61 48.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 p -98.86 -172.82 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 34.36 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.01 166.59 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.4 96.41 36.26 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.77 171.8 52.02 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 124.111 -1.204 . . . . 0.0 112.412 0.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.87 152.55 41.6 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.311 2.007 . . . . 0.0 112.388 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -114.47 120.9 41.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -107.31 137.55 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.792 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.834 0.349 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m -99.0 141.1 32.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 p -65.77 161.15 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -89.99 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.11 101.69 51.35 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 165.84 84.26 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.284 -1.132 . . . . 0.0 112.539 0.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.97 152.46 46.34 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.325 2.017 . . . . 0.0 112.225 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -114.2 120.06 39.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.8 m -103.87 138.17 40.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.97 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.803 0.335 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m -138.14 143.78 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -86.69 -175.24 5.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.35 34.32 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -78.62 164.93 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.28 97.76 48.96 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.67 170.48 70.22 Favored 'Cis proline' 0 C--N 1.355 0.879 0 C-N-CA 124.157 -1.184 . . . . 0.0 112.408 0.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.8 150.86 50.6 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.323 2.016 . . . . 0.0 112.261 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 122.72 45.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -104.48 137.71 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.905 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.762 0.315 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.0 m -100.43 147.18 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.8 p -65.11 161.71 18.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -92.68 64.9 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.26 166.46 13.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.22 104.17 15.09 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.91 152.91 87.2 Favored 'Cis proline' 0 C--N 1.356 0.934 0 C-N-CA 124.293 -1.128 . . . . 0.0 112.379 0.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.23 147.45 42.3 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.221 1.947 . . . . 0.0 112.3 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -121.15 128.91 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 m -104.28 141.85 35.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.819 0.343 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -60.06 -177.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -99.68 30.25 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -77.24 166.64 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.0 mt -126.08 99.82 31.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.97 155.26 99.68 Favored 'Cis proline' 0 C--N 1.356 0.951 0 C-N-CA 124.235 -1.152 . . . . 0.0 112.44 0.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.08 153.15 27.28 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.311 2.007 . . . . 0.0 112.258 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.67 108.17 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.0 m -99.77 137.6 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.951 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.6 m -102.12 140.97 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p -60.12 166.73 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.07 44.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -104.31 161.19 14.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -131.63 106.99 14.25 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 147.16 72.6 Favored 'Cis proline' 0 C--N 1.356 0.965 0 C-N-CA 124.285 -1.131 . . . . 0.0 112.355 0.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.82 161.91 32.94 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.3 2.0 . . . . 0.0 112.306 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -132.3 126.56 33.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 m -102.87 138.32 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.8 132.6 47.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p -60.57 171.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 31.93 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -114.9 163.47 15.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.6 mp -110.55 127.73 26.51 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.72 149.18 93.67 Favored 'Cis proline' 0 C--N 1.357 0.992 0 C-N-CA 124.28 -1.133 . . . . 0.0 112.226 -0.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 111.84 2.93 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.237 1.958 . . . . 0.0 112.283 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.38 35.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.2 159.87 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.0 m -101.56 114.78 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -69.71 -172.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.32 29.45 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.7 165.57 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.711 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -122.66 95.8 46.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.6 171.24 68.57 Favored 'Cis proline' 0 C--N 1.354 0.863 0 C-N-CA 124.239 -1.15 . . . . 0.0 112.498 0.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 141.92 46.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.247 1.965 . . . . 0.0 112.134 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -108.36 120.49 42.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.3 m -104.82 136.74 43.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.821 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.45 148.79 24.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -71.24 -179.67 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.54 37.01 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' HD13 ' A' ' 6' ' ' ILE . 66.7 p -96.67 162.66 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 5' ' ' SER . 28.7 mm -126.63 109.29 22.91 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.41 149.37 91.99 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.3 -1.125 . . . . 0.0 112.41 0.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.96 146.74 47.96 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.294 1.996 . . . . 0.0 112.255 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.83 145.56 49.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.8 m -103.83 139.63 38.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.8 m -102.55 144.85 30.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 p -73.93 175.27 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 30.65 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -77.88 165.4 24.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.12 98.18 49.08 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.89 168.42 76.6 Favored 'Cis proline' 0 C--N 1.354 0.868 0 C-N-CA 124.185 -1.173 . . . . 0.0 112.37 0.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 147.67 47.78 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.292 1.995 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.27 123.76 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.88 138.06 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.823 0.345 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.6 m -139.86 140.95 36.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -60.91 163.51 5.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -99.44 34.89 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -93.7 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 6.3 mt -126.37 105.18 24.62 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.2 Cg_endo -74.26 148.54 92.16 Favored 'Cis proline' 0 C--N 1.358 1.035 0 C-N-CA 124.264 -1.14 . . . . 0.0 112.361 0.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.12 161.38 44.82 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.217 1.945 . . . . 0.0 112.285 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -133.29 131.74 40.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.0 m -103.26 138.06 40.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.6 m -137.62 143.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 9' ' ' GLN . 25.3 p -67.7 -173.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.005 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 55.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -125.71 165.61 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -126.3 105.18 24.87 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.78 148.24 88.6 Favored 'Cis proline' 0 C--N 1.355 0.903 0 C-N-CA 124.305 -1.123 . . . . 0.0 112.316 0.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.56 158.27 28.69 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.282 1.988 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 3' ' ' THR . 46.3 mt-30 -109.83 118.73 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -104.03 162.12 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.943 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.31 154.12 18.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.9 p -60.73 -172.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.03 43.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -131.82 153.38 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mm -106.68 127.05 28.86 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.14 154.77 96.94 Favored 'Cis proline' 0 C--N 1.357 1.0 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.257 0.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.91 136.6 35.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.291 1.994 . . . . 0.0 112.394 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.88 131.99 47.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.8 m -105.43 158.31 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.833 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.851 0.358 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.08 172.22 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p -60.12 168.09 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.85 50.5 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.975 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' HD13 ' A' ' 6' ' ' ILE . 30.9 p -110.43 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 5' ' ' SER . 30.2 mm -126.19 104.6 25.58 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.12 151.7 96.27 Favored 'Cis proline' 0 C--N 1.357 0.982 0 C-N-CA 124.282 -1.132 . . . . 0.0 112.476 0.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.06 135.92 21.73 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.337 2.025 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.9 143.95 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.65 152.22 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.906 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.85 0.357 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.91 155.91 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p -60.41 -177.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 36.72 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -128.55 159.53 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.0 mm -108.6 128.61 25.26 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 157.42 96.55 Favored 'Cis proline' 0 C--N 1.357 1.009 0 C-N-CA 124.358 -1.101 . . . . 0.0 112.255 0.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.82 124.31 11.74 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.231 1.954 . . . . 0.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.8 130.65 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 m -108.41 162.69 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.82 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.8 m -134.75 130.13 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.8 p -59.89 175.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -95.88 59.19 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.664 ' O ' HD13 ' A' ' 6' ' ' ILE . 89.5 p -113.44 166.22 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.664 HD13 ' O ' ' A' ' 5' ' ' SER . 29.8 mm -134.66 104.38 10.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 38.6 Cg_endo -66.33 151.75 80.89 Favored 'Cis proline' 0 C--N 1.356 0.962 0 C-N-CA 124.256 -1.143 . . . . 0.0 112.258 0.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 31.8 Cg_exo -58.85 166.6 6.51 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.194 1.929 . . . . 0.0 112.378 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -129.64 109.22 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.34 159.73 15.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.843 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.813 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -102.71 119.37 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -60.21 162.65 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.81 65.15 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.101 0.476 . . . . 0.0 110.787 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -132.57 166.78 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.42 108.74 16.12 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.57 149.51 79.5 Favored 'Cis proline' 0 C--N 1.356 0.968 0 C-N-CA 124.291 -1.129 . . . . 0.0 112.391 0.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.58 149.44 55.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.267 1.978 . . . . 0.0 112.264 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -108.27 114.02 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.8 m -107.4 143.24 36.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.898 -179.895 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.345 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 m -137.12 155.48 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -62.91 143.41 57.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.801 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.84 67.5 9.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -138.21 166.59 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.59 107.18 36.66 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.1 149.09 93.1 Favored 'Cis proline' 0 C--N 1.355 0.915 0 C-N-CA 124.324 -1.115 . . . . 0.0 112.482 0.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.59 147.02 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.273 1.982 . . . . 0.0 112.209 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.67 130.07 56.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 m -104.67 154.1 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m -102.66 162.59 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.5 p -64.04 163.05 13.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -98.65 71.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.21 167.46 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.7 mm -123.83 104.02 33.55 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.43 157.4 99.48 Favored 'Cis proline' 0 C--N 1.355 0.908 0 C-N-CA 124.298 -1.126 . . . . 0.0 112.406 0.031 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.14 136.77 22.82 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.43 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -110.45 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.7 m -100.81 138.24 38.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.861 -179.905 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.785 0.326 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -138.53 148.29 44.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -61.0 162.6 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.0 33.36 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -107.39 162.18 14.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.72 116.12 43.45 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.09 152.34 96.88 Favored 'Cis proline' 0 C--N 1.358 1.038 0 C-N-CA 124.334 -1.111 . . . . 0.0 112.447 -0.015 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.69 145.44 41.39 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.29 1.993 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -118.64 152.89 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 m -135.58 157.84 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.839 -179.953 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m -99.44 129.85 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -67.38 171.42 6.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 32.79 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -80.98 166.01 21.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.1 mt -118.6 99.45 51.39 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.66 167.46 80.09 Favored 'Cis proline' 0 C--N 1.356 0.958 0 C-N-CA 124.295 -1.127 . . . . 0.0 112.438 0.096 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.74 143.64 42.19 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.222 1.948 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.8 125.0 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.13 153.2 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.929 -179.928 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.74 145.91 28.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -76.89 176.63 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.41 63.93 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -118.34 166.82 12.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mm -126.31 103.07 26.19 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.7 154.93 99.04 Favored 'Cis proline' 0 C--N 1.356 0.97 0 C-N-CA 124.299 -1.125 . . . . 0.0 112.44 0.054 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.96 147.85 44.31 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.315 2.01 . . . . 0.0 112.232 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.32 147.99 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -105.79 139.83 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.858 -179.906 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.743 0.306 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.1 m -101.64 158.91 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -73.93 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.02 39.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.07 166.64 16.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.66 100.04 15.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.04 160.37 71.62 Favored 'Cis proline' 0 C--N 1.356 0.923 0 C-N-CA 124.226 -1.156 . . . . 0.0 112.378 0.068 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.47 137.02 29.8 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.224 1.95 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.28 130.15 55.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.774 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.63 166.59 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.836 0.351 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m -139.18 154.54 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -78.86 175.87 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 41.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.05 166.72 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.1 mp -129.9 102.65 17.57 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.71 145.54 84.32 Favored 'Cis proline' 0 C--N 1.357 0.978 0 C-N-CA 124.167 -1.18 . . . . 0.0 112.352 0.003 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.18 166.76 28.2 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.16 1.906 . . . . 0.0 112.31 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -123.52 119.54 30.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -104.3 138.19 41.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.71 149.91 22.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p -60.08 -177.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -108.66 38.2 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -126.57 157.58 38.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.62 129.67 24.09 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.98 152.69 97.09 Favored 'Cis proline' 0 C--N 1.357 0.999 0 C-N-CA 124.227 -1.156 . . . . 0.0 112.211 -0.012 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 114.96 3.65 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.339 2.026 . . . . 0.0 112.278 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.02 140.28 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 161.71 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.26 134.82 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 37.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -89.04 166.74 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.0 102.41 37.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.52 161.96 92.99 Favored 'Cis proline' 0 C--N 1.357 1.008 0 C-N-CA 124.223 -1.157 . . . . 0.0 112.427 0.151 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.96 157.01 34.61 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.316 2.01 . . . . 0.0 112.41 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -127.52 126.09 41.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.0 m -101.06 138.21 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.1 m -101.41 143.18 31.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p -73.73 -179.27 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.75 31.19 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -76.8 166.32 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.9 mp -129.62 97.71 24.01 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.36 164.7 70.86 Favored 'Cis proline' 0 C--N 1.355 0.89 0 C-N-CA 124.157 -1.185 . . . . 0.0 112.33 -0.057 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.14 164.58 33.38 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.278 1.985 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.14 116.7 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.788 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.3 m -107.3 137.83 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -107.5 38.21 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.47 163.92 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.64 105.0 44.16 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.68 157.54 96.65 Favored 'Cis proline' 0 C--N 1.356 0.96 0 C-N-CA 124.328 -1.113 . . . . 0.0 112.468 0.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 146.63 46.76 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.293 1.995 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -113.75 136.36 52.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -111.71 137.72 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.868 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -107.27 36.3 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.91 165.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.83 101.26 11.71 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.05 155.23 62.53 Favored 'Cis proline' 0 C--N 1.355 0.91 0 C-N-CA 124.33 -1.113 . . . . 0.0 112.389 0.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.68 157.0 44.43 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.328 2.019 . . . . 0.0 112.328 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -107.65 115.02 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.3 m -104.47 137.53 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.872 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -97.8 39.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' HD13 ' A' ' 6' ' ' ILE . 3.9 p -85.33 165.0 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 5' ' ' SER . 26.7 mm -129.34 99.96 20.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.79 171.88 55.82 Favored 'Cis proline' 0 C--N 1.356 0.939 0 C-N-CA 124.233 -1.153 . . . . 0.0 112.485 0.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.9 151.38 45.35 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.318 2.012 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.42 136.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.9 m -106.13 139.52 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.759 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.942 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.856 0.36 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 34.36 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.01 166.59 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.4 96.41 36.26 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.77 171.8 52.02 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 124.111 -1.204 . . . . 0.0 112.412 0.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.87 152.55 41.6 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.311 2.007 . . . . 0.0 112.388 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -114.47 120.9 41.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -107.31 137.55 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.792 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -89.99 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.11 101.69 51.35 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 165.84 84.26 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.284 -1.132 . . . . 0.0 112.539 0.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.97 152.46 46.34 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.325 2.017 . . . . 0.0 112.225 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -114.2 120.06 39.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.8 m -103.87 138.17 40.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.97 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.35 34.32 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -78.62 164.93 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.28 97.76 48.96 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.67 170.48 70.22 Favored 'Cis proline' 0 C--N 1.355 0.879 0 C-N-CA 124.157 -1.184 . . . . 0.0 112.408 0.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.8 150.86 50.6 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.323 2.016 . . . . 0.0 112.261 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 122.72 45.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -104.48 137.71 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.905 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.8 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.338 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -92.68 64.9 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.26 166.46 13.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.22 104.17 15.09 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.91 152.91 87.2 Favored 'Cis proline' 0 C--N 1.356 0.934 0 C-N-CA 124.293 -1.128 . . . . 0.0 112.379 0.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.23 147.45 42.3 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.221 1.947 . . . . 0.0 112.3 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -121.15 128.91 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 m -104.28 141.85 35.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -99.68 30.25 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -77.24 166.64 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.0 mt -126.08 99.82 31.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.97 155.26 99.68 Favored 'Cis proline' 0 C--N 1.356 0.951 0 C-N-CA 124.235 -1.152 . . . . 0.0 112.44 0.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.08 153.15 27.28 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.311 2.007 . . . . 0.0 112.258 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.67 108.17 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.0 m -99.77 137.6 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.951 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.758 0.313 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.07 44.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -104.31 161.19 14.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -131.63 106.99 14.25 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 147.16 72.6 Favored 'Cis proline' 0 C--N 1.356 0.965 0 C-N-CA 124.285 -1.131 . . . . 0.0 112.355 0.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.82 161.91 32.94 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.3 2.0 . . . . 0.0 112.306 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -132.3 126.56 33.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 m -102.87 138.32 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.821 0.343 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 31.93 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -114.9 163.47 15.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.6 mp -110.55 127.73 26.51 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.72 149.18 93.67 Favored 'Cis proline' 0 C--N 1.357 0.992 0 C-N-CA 124.28 -1.133 . . . . 0.0 112.226 -0.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 111.84 2.93 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.237 1.958 . . . . 0.0 112.283 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.38 35.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.2 159.87 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.797 0.332 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.32 29.45 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.7 165.57 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.711 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -122.66 95.8 46.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.6 171.24 68.57 Favored 'Cis proline' 0 C--N 1.354 0.863 0 C-N-CA 124.239 -1.15 . . . . 0.0 112.498 0.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 141.92 46.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.247 1.965 . . . . 0.0 112.134 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -108.36 120.49 42.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.3 m -104.82 136.74 43.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.821 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.54 37.01 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' HD13 ' A' ' 6' ' ' ILE . 66.7 p -96.67 162.66 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 5' ' ' SER . 28.7 mm -126.63 109.29 22.91 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.41 149.37 91.99 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.3 -1.125 . . . . 0.0 112.41 0.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.96 146.74 47.96 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.294 1.996 . . . . 0.0 112.255 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.83 145.56 49.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.8 m -103.83 139.63 38.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 30.65 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -77.88 165.4 24.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.12 98.18 49.08 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.89 168.42 76.6 Favored 'Cis proline' 0 C--N 1.354 0.868 0 C-N-CA 124.185 -1.173 . . . . 0.0 112.37 0.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 147.67 47.78 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.292 1.995 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.27 123.76 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.88 138.06 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -99.44 34.89 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -93.7 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 6.3 mt -126.37 105.18 24.62 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.2 Cg_endo -74.26 148.54 92.16 Favored 'Cis proline' 0 C--N 1.358 1.035 0 C-N-CA 124.264 -1.14 . . . . 0.0 112.361 0.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.12 161.38 44.82 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.217 1.945 . . . . 0.0 112.285 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -133.29 131.74 40.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.0 m -103.26 138.06 40.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 9' ' ' GLN . 25.3 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.786 0.327 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 55.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -125.71 165.61 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -126.3 105.18 24.87 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.78 148.24 88.6 Favored 'Cis proline' 0 C--N 1.355 0.903 0 C-N-CA 124.305 -1.123 . . . . 0.0 112.316 0.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.56 158.27 28.69 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.282 1.988 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 3' ' ' THR . 46.3 mt-30 -109.83 118.73 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -104.03 162.12 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.943 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.03 43.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -131.82 153.38 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mm -106.68 127.05 28.86 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.14 154.77 96.94 Favored 'Cis proline' 0 C--N 1.357 1.0 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.257 0.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.91 136.6 35.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.291 1.994 . . . . 0.0 112.394 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.88 131.99 47.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.8 m -105.43 158.31 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.833 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.85 50.5 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.975 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' HD13 ' A' ' 6' ' ' ILE . 30.9 p -110.43 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 5' ' ' SER . 30.2 mm -126.19 104.6 25.58 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.12 151.7 96.27 Favored 'Cis proline' 0 C--N 1.357 0.982 0 C-N-CA 124.282 -1.132 . . . . 0.0 112.476 0.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.06 135.92 21.73 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.337 2.025 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.9 143.95 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.65 152.22 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.906 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 36.72 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -128.55 159.53 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.0 mm -108.6 128.61 25.26 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 157.42 96.55 Favored 'Cis proline' 0 C--N 1.357 1.009 0 C-N-CA 124.358 -1.101 . . . . 0.0 112.255 0.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.82 124.31 11.74 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.231 1.954 . . . . 0.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.8 130.65 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 m -108.41 162.69 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.82 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.841 0.353 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -95.88 59.19 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.664 ' O ' HD13 ' A' ' 6' ' ' ILE . 89.5 p -113.44 166.22 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.664 HD13 ' O ' ' A' ' 5' ' ' SER . 29.8 mm -134.66 104.38 10.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 38.6 Cg_endo -66.33 151.75 80.89 Favored 'Cis proline' 0 C--N 1.356 0.962 0 C-N-CA 124.256 -1.143 . . . . 0.0 112.258 0.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 31.8 Cg_exo -58.85 166.6 6.51 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.194 1.929 . . . . 0.0 112.378 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -129.64 109.22 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.34 159.73 15.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.843 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.765 0.317 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.81 65.15 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.101 0.476 . . . . 0.0 110.787 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -132.57 166.78 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.42 108.74 16.12 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.57 149.51 79.5 Favored 'Cis proline' 0 C--N 1.356 0.968 0 C-N-CA 124.291 -1.129 . . . . 0.0 112.391 0.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.58 149.44 55.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.267 1.978 . . . . 0.0 112.264 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -108.27 114.02 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.8 m -107.4 143.24 36.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.898 -179.895 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.338 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.84 67.5 9.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -138.21 166.59 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.59 107.18 36.66 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.1 149.09 93.1 Favored 'Cis proline' 0 C--N 1.355 0.915 0 C-N-CA 124.324 -1.115 . . . . 0.0 112.482 0.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.59 147.02 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.273 1.982 . . . . 0.0 112.209 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.67 130.07 56.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 m -104.67 154.1 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -98.65 71.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.21 167.46 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.7 mm -123.83 104.02 33.55 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.43 157.4 99.48 Favored 'Cis proline' 0 C--N 1.355 0.908 0 C-N-CA 124.298 -1.126 . . . . 0.0 112.406 0.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.14 136.77 22.82 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.43 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -110.45 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.7 m -100.81 138.24 38.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.861 -179.905 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.0 33.36 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -107.39 162.18 14.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.72 116.12 43.45 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.09 152.34 96.88 Favored 'Cis proline' 0 C--N 1.358 1.038 0 C-N-CA 124.334 -1.111 . . . . 0.0 112.447 -0.015 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.69 145.44 41.39 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.29 1.993 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -118.64 152.89 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 m -135.58 157.84 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.839 -179.953 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.918 0.39 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 32.79 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -80.98 166.01 21.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.1 mt -118.6 99.45 51.39 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.66 167.46 80.09 Favored 'Cis proline' 0 C--N 1.356 0.958 0 C-N-CA 124.295 -1.127 . . . . 0.0 112.438 0.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.74 143.64 42.19 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.222 1.948 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.8 125.0 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.13 153.2 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.929 -179.928 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.772 0.32 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.41 63.93 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -118.34 166.82 12.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mm -126.31 103.07 26.19 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.7 154.93 99.04 Favored 'Cis proline' 0 C--N 1.356 0.97 0 C-N-CA 124.299 -1.125 . . . . 0.0 112.44 0.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.96 147.85 44.31 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.315 2.01 . . . . 0.0 112.232 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.32 147.99 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -105.79 139.83 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.858 -179.906 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.02 39.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.07 166.64 16.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.66 100.04 15.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.04 160.37 71.62 Favored 'Cis proline' 0 C--N 1.356 0.923 0 C-N-CA 124.226 -1.156 . . . . 0.0 112.378 0.068 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.47 137.02 29.8 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.224 1.95 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.28 130.15 55.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.774 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.63 166.59 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 41.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.05 166.72 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.1 mp -129.9 102.65 17.57 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.71 145.54 84.32 Favored 'Cis proline' 0 C--N 1.357 0.978 0 C-N-CA 124.167 -1.18 . . . . 0.0 112.352 0.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.18 166.76 28.2 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.16 1.906 . . . . 0.0 112.31 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -123.52 119.54 30.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -104.3 138.19 41.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.807 0.337 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -108.66 38.2 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -126.57 157.58 38.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.62 129.67 24.09 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.98 152.69 97.09 Favored 'Cis proline' 0 C--N 1.357 0.999 0 C-N-CA 124.227 -1.156 . . . . 0.0 112.211 -0.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 114.96 3.65 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.339 2.026 . . . . 0.0 112.278 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.02 140.28 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 161.71 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.806 0.336 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 37.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -89.04 166.74 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.0 102.41 37.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.52 161.96 92.99 Favored 'Cis proline' 0 C--N 1.357 1.008 0 C-N-CA 124.223 -1.157 . . . . 0.0 112.427 0.151 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.96 157.01 34.61 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.316 2.01 . . . . 0.0 112.41 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -127.52 126.09 41.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.0 m -101.06 138.21 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.75 31.19 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -76.8 166.32 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.9 mp -129.62 97.71 24.01 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.36 164.7 70.86 Favored 'Cis proline' 0 C--N 1.355 0.89 0 C-N-CA 124.157 -1.185 . . . . 0.0 112.33 -0.057 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.14 164.58 33.38 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.278 1.985 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.14 116.7 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.788 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.3 m -107.3 137.83 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.911 0.386 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.4 m -102.24 135.57 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -61.02 176.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -107.5 38.21 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.47 163.92 13.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.64 105.0 44.16 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.68 157.54 96.65 Favored 'Cis proline' 0 C--N 1.356 0.96 0 C-N-CA 124.328 -1.113 . . . . 0.0 112.468 0.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.13 146.63 46.76 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.293 1.995 . . . . 0.0 112.179 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -113.75 136.36 52.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.9 m -111.71 137.72 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.868 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.886 0.374 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m -137.91 171.9 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 p -87.79 -169.81 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -107.27 36.3 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p -93.91 165.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.83 101.26 11.71 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.05 155.23 62.53 Favored 'Cis proline' 0 C--N 1.355 0.91 0 C-N-CA 124.33 -1.113 . . . . 0.0 112.389 0.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -74.68 157.0 44.43 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.328 2.019 . . . . 0.0 112.328 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -107.65 115.02 29.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.3 m -104.47 137.53 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.872 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 m -100.51 157.71 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -86.61 -169.78 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -97.8 39.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' HD13 ' A' ' 6' ' ' ILE . 3.9 p -85.33 165.0 17.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 5' ' ' SER . 26.7 mm -129.34 99.96 20.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.79 171.88 55.82 Favored 'Cis proline' 0 C--N 1.356 0.939 0 C-N-CA 124.233 -1.153 . . . . 0.0 112.485 0.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.9 151.38 45.35 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.318 2.012 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.42 136.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.9 m -106.13 139.52 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.759 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.942 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 m -137.68 151.61 48.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 p -98.86 -172.82 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 34.36 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.01 166.59 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.4 96.41 36.26 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.77 171.8 52.02 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 124.111 -1.204 . . . . 0.0 112.412 0.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.87 152.55 41.6 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.311 2.007 . . . . 0.0 112.388 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -114.47 120.9 41.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -107.31 137.55 45.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.792 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.933 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.7 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.834 0.349 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.5 m -99.0 141.1 32.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 p -65.77 161.15 21.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.33 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -89.99 166.43 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.11 101.69 51.35 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 165.84 84.26 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.284 -1.132 . . . . 0.0 112.539 0.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.97 152.46 46.34 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.325 2.017 . . . . 0.0 112.225 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -114.2 120.06 39.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.8 m -103.87 138.17 40.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.803 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.97 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.803 0.335 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.7 m -138.14 143.78 40.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -86.69 -175.24 5.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.35 34.32 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -78.62 164.93 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.28 97.76 48.96 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.67 170.48 70.22 Favored 'Cis proline' 0 C--N 1.355 0.879 0 C-N-CA 124.157 -1.184 . . . . 0.0 112.408 0.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.8 150.86 50.6 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.323 2.016 . . . . 0.0 112.261 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 122.72 45.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.7 m -104.48 137.71 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.905 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.762 0.315 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.0 m -100.43 147.18 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.8 p -65.11 161.71 18.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -92.68 64.9 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.067 0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.26 166.46 13.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.22 104.17 15.09 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.91 152.91 87.2 Favored 'Cis proline' 0 C--N 1.356 0.934 0 C-N-CA 124.293 -1.128 . . . . 0.0 112.379 0.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.23 147.45 42.3 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.221 1.947 . . . . 0.0 112.3 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -121.15 128.91 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 m -104.28 141.85 35.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.819 0.343 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m -101.51 108.42 19.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -60.06 -177.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -99.68 30.25 3.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -77.24 166.64 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.0 mt -126.08 99.82 31.0 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -72.97 155.26 99.68 Favored 'Cis proline' 0 C--N 1.356 0.951 0 C-N-CA 124.235 -1.152 . . . . 0.0 112.44 0.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.08 153.15 27.28 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.311 2.007 . . . . 0.0 112.258 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.67 108.17 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.0 m -99.77 137.6 38.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.951 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.749 0.309 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.6 m -102.12 140.97 35.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.3 p -60.12 166.73 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.07 44.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 p -104.31 161.19 14.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -131.63 106.99 14.25 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.7 147.16 72.6 Favored 'Cis proline' 0 C--N 1.356 0.965 0 C-N-CA 124.285 -1.131 . . . . 0.0 112.355 0.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.82 161.91 32.94 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.3 2.0 . . . . 0.0 112.306 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -132.3 126.56 33.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 m -102.87 138.32 39.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.892 0.377 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.8 132.6 47.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p -60.57 171.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.6 31.93 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -114.9 163.47 15.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.6 mp -110.55 127.73 26.51 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.72 149.18 93.67 Favored 'Cis proline' 0 C--N 1.357 0.992 0 C-N-CA 124.28 -1.133 . . . . 0.0 112.226 -0.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.81 111.84 2.93 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.237 1.958 . . . . 0.0 112.283 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.91 147.38 35.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.2 159.87 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.983 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.838 0.352 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.0 m -101.56 114.78 29.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.8 p -69.71 -172.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.32 29.45 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.7 165.57 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.711 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.1 mm -122.66 95.8 46.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -74.6 171.24 68.57 Favored 'Cis proline' 0 C--N 1.354 0.863 0 C-N-CA 124.239 -1.15 . . . . 0.0 112.498 0.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.85 141.92 46.18 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.247 1.965 . . . . 0.0 112.134 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -108.36 120.49 42.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.3 m -104.82 136.74 43.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.821 -179.709 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.45 148.79 24.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 p -71.24 -179.67 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -98.54 37.01 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' HD13 ' A' ' 6' ' ' ILE . 66.7 p -96.67 162.66 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 5' ' ' SER . 28.7 mm -126.63 109.29 22.91 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.41 149.37 91.99 Favored 'Cis proline' 0 C--N 1.356 0.971 0 C-N-CA 124.3 -1.125 . . . . 0.0 112.41 0.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.96 146.74 47.96 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.294 1.996 . . . . 0.0 112.255 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -133.83 145.56 49.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.8 m -103.83 139.63 38.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.8 m -102.55 144.85 30.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.6 p -73.93 175.27 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.62 30.65 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -77.88 165.4 24.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.12 98.18 49.08 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.89 168.42 76.6 Favored 'Cis proline' 0 C--N 1.354 0.868 0 C-N-CA 124.185 -1.173 . . . . 0.0 112.37 0.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 147.67 47.78 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.292 1.995 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.27 123.76 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.88 138.06 41.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.97 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.823 0.345 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.6 m -139.86 140.95 36.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -60.91 163.51 5.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -99.44 34.89 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -93.7 167.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 7' ' ' PRO . 6.3 mt -126.37 105.18 24.62 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' ILE . 72.2 Cg_endo -74.26 148.54 92.16 Favored 'Cis proline' 0 C--N 1.358 1.035 0 C-N-CA 124.264 -1.14 . . . . 0.0 112.361 0.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.12 161.38 44.82 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.217 1.945 . . . . 0.0 112.285 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -133.29 131.74 40.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.0 m -103.26 138.06 40.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.921 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.6 m -137.62 143.17 41.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 9' ' ' GLN . 25.3 p -67.7 -173.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.005 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 55.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -125.71 165.61 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -126.3 105.18 24.87 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.78 148.24 88.6 Favored 'Cis proline' 0 C--N 1.355 0.903 0 C-N-CA 124.305 -1.123 . . . . 0.0 112.316 0.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -78.56 158.27 28.69 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.282 1.988 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 3' ' ' THR . 46.3 mt-30 -109.83 118.73 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -104.03 162.12 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.943 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -100.31 154.12 18.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.9 p -60.73 -172.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.03 43.61 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -131.82 153.38 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mm -106.68 127.05 28.86 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.98 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.14 154.77 96.94 Favored 'Cis proline' 0 C--N 1.357 1.0 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.257 0.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -68.91 136.6 35.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.291 1.994 . . . . 0.0 112.394 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.88 131.99 47.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.8 m -105.43 158.31 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.833 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.851 0.358 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.08 172.22 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p -60.12 168.09 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.85 50.5 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.975 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' HD13 ' A' ' 6' ' ' ILE . 30.9 p -110.43 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 5' ' ' SER . 30.2 mm -126.19 104.6 25.58 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.12 151.7 96.27 Favored 'Cis proline' 0 C--N 1.357 0.982 0 C-N-CA 124.282 -1.132 . . . . 0.0 112.476 0.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.06 135.92 21.73 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.337 2.025 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -117.9 143.95 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.65 152.22 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.906 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.85 0.357 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.91 155.91 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.7 p -60.41 -177.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 36.72 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -128.55 159.53 35.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.0 mm -108.6 128.61 25.26 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.57 157.42 96.55 Favored 'Cis proline' 0 C--N 1.357 1.009 0 C-N-CA 124.358 -1.101 . . . . 0.0 112.255 0.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.82 124.31 11.74 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.231 1.954 . . . . 0.0 112.291 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.8 130.65 56.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 m -108.41 162.69 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.82 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 33.8 m -134.75 130.13 35.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.8 p -59.89 175.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -95.88 59.19 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.664 ' O ' HD13 ' A' ' 6' ' ' ILE . 89.5 p -113.44 166.22 11.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.664 HD13 ' O ' ' A' ' 5' ' ' SER . 29.8 mm -134.66 104.38 10.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 38.6 Cg_endo -66.33 151.75 80.89 Favored 'Cis proline' 0 C--N 1.356 0.962 0 C-N-CA 124.256 -1.143 . . . . 0.0 112.258 0.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' PRO . 31.8 Cg_exo -58.85 166.6 6.51 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.194 1.929 . . . . 0.0 112.378 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -129.64 109.22 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.666 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.9 m -102.34 159.73 15.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.843 -179.845 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.813 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -102.71 119.37 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -60.21 162.65 5.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.81 65.15 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.101 0.476 . . . . 0.0 110.787 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -132.57 166.78 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.42 108.74 16.12 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.57 149.51 79.5 Favored 'Cis proline' 0 C--N 1.356 0.968 0 C-N-CA 124.291 -1.129 . . . . 0.0 112.391 0.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.58 149.44 55.43 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.267 1.978 . . . . 0.0 112.264 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -108.27 114.02 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.8 m -107.4 143.24 36.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.898 -179.895 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.345 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 m -137.12 155.48 49.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -62.91 143.41 57.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.801 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -83.84 67.5 9.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -138.21 166.59 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.59 107.18 36.66 Favored Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.1 149.09 93.1 Favored 'Cis proline' 0 C--N 1.355 0.915 0 C-N-CA 124.324 -1.115 . . . . 0.0 112.482 0.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.59 147.02 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.273 1.982 . . . . 0.0 112.209 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.67 130.07 56.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 m -104.67 154.1 20.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.931 179.95 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.4 m -102.66 162.59 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.5 p -64.04 163.05 13.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -98.65 71.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.21 167.46 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.7 mm -123.83 104.02 33.55 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.43 157.4 99.48 Favored 'Cis proline' 0 C--N 1.355 0.908 0 C-N-CA 124.298 -1.126 . . . . 0.0 112.406 0.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.14 136.77 22.82 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.243 1.962 . . . . 0.0 112.43 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -110.45 126.81 54.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.7 m -100.81 138.24 38.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.861 -179.905 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.785 0.326 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -138.53 148.29 44.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -61.0 162.6 6.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.0 33.36 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p -107.39 162.18 14.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.72 116.12 43.45 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.09 152.34 96.88 Favored 'Cis proline' 0 C--N 1.358 1.038 0 C-N-CA 124.334 -1.111 . . . . 0.0 112.447 -0.015 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.69 145.44 41.39 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.29 1.993 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -118.64 152.89 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 m -135.58 157.84 45.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.839 -179.953 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m -99.44 129.85 45.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.1 p -67.38 171.42 6.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 32.79 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.748 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -80.98 166.01 21.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.1 mt -118.6 99.45 51.39 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.66 167.46 80.09 Favored 'Cis proline' 0 C--N 1.356 0.958 0 C-N-CA 124.295 -1.127 . . . . 0.0 112.438 0.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.74 143.64 42.19 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.222 1.948 . . . . 0.0 112.251 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.8 125.0 50.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -106.13 153.2 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.929 -179.928 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.74 145.91 28.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.3 p -76.89 176.63 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.41 63.93 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -118.34 166.82 12.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mm -126.31 103.07 26.19 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.7 154.93 99.04 Favored 'Cis proline' 0 C--N 1.356 0.97 0 C-N-CA 124.299 -1.125 . . . . 0.0 112.44 0.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.96 147.85 44.31 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.315 2.01 . . . . 0.0 112.232 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.32 147.99 51.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.9 m -105.79 139.83 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.858 -179.906 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.743 0.306 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.1 m -101.64 158.91 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 p -73.93 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.02 39.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.07 166.64 16.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.66 100.04 15.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.04 160.37 71.62 Favored 'Cis proline' 0 C--N 1.356 0.923 0 C-N-CA 124.226 -1.156 . . . . 0.0 112.378 0.068 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.47 137.02 29.8 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.224 1.95 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.28 130.15 55.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.774 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.63 166.59 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.987 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.836 0.351 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.8 m -139.18 154.54 48.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -78.86 175.87 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 41.79 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.05 166.72 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.1 mp -129.9 102.65 17.57 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.71 145.54 84.32 Favored 'Cis proline' 0 C--N 1.357 0.978 0 C-N-CA 124.167 -1.18 . . . . 0.0 112.352 0.003 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.18 166.76 28.2 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.16 1.906 . . . . 0.0 112.31 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -123.52 119.54 30.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.1 m -104.3 138.19 41.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 179.981 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.853 0.359 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.71 149.91 22.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.7 p -60.08 -177.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -108.66 38.2 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -126.57 157.58 38.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.781 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -106.62 129.67 24.09 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.98 152.69 97.09 Favored 'Cis proline' 0 C--N 1.357 0.999 0 C-N-CA 124.227 -1.156 . . . . 0.0 112.211 -0.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.44 114.96 3.65 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.339 2.026 . . . . 0.0 112.278 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -115.02 140.28 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 m -105.79 161.71 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.871 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.1 m -102.26 134.82 44.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -63.59 164.33 9.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.978 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.79 37.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -89.04 166.74 13.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -123.0 102.41 37.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.52 161.96 92.99 Favored 'Cis proline' 0 C--N 1.357 1.008 0 C-N-CA 124.223 -1.157 . . . . 0.0 112.427 0.151 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.96 157.01 34.61 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.316 2.01 . . . . 0.0 112.41 -179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -127.52 126.09 41.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.0 m -101.06 138.21 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.1 m -101.41 143.18 31.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.5 p -73.73 -179.27 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -102.75 31.19 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -76.8 166.32 23.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 6' ' ' ILE . 3.9 mp -129.62 97.71 24.01 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.36 164.7 70.86 Favored 'Cis proline' 0 C--N 1.355 0.89 0 C-N-CA 124.157 -1.185 . . . . 0.0 112.33 -0.057 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.14 164.58 33.38 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.278 1.985 . . . . 0.0 112.304 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.14 116.7 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.788 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.3 m -107.3 137.83 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.957 179.968 . . . . . . . . 0 0 . 1 stop_ save_