data_2n1s_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 2n1s _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.339 . . . . 74.53 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -67.78 152.11 46.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 62.44 110.884 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.911 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.855 0.36 . . . . 73.11 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -117.25 150.59 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.87 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -87.47 126.48 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 p -81.98 169.62 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -9.91 55.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.874 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -101.27 6.73 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 64.22 110.938 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 9.16 86.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 65.34 112.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -104.99 137.6 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 74.24 110.914 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 m -76.64 154.14 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.82 -158.46 27.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 75.22 112.45 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.68 -171.66 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 72.31 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.96 173.31 42.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 73.02 112.489 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.06 14.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 74.15 110.968 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.67 -4.01 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.029 -0.987 . . . . 75.32 111.118 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.88 -40.17 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.944 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.82 -24.67 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 45.35 112.487 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 74.33 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.6 m -67.78 172.1 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.6 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.911 -179.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.857 0.36 . . . . 73.41 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.9 m -113.44 150.7 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.874 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -87.4 126.48 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.886 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -81.99 169.63 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -9.97 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 73.52 110.912 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -101.24 6.75 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.949 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.45 9.17 86.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 35.55 112.532 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -104.97 137.58 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 73.34 110.964 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.73 154.09 34.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 64.22 110.922 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.92 -158.33 27.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 64.32 112.445 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.71 -171.65 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 64.43 110.835 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.94 173.26 42.38 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 65.42 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -23.16 14.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 74.41 110.998 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.03 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 72.01 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.84 -40.16 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.917 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.2 m -94.97 -24.49 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.42 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 62.34 112.499 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.87 0.367 . . . . 74.35 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.2 m -67.74 152.17 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 60.12 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.935 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.856 0.36 . . . . 65.23 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.0 m -108.3 149.83 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 126.79 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.13 169.45 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -69.22 -9.9 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.92 5.97 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.914 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 8.96 86.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 74.34 112.46 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -105.23 137.48 42.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.935 0.398 . . . . 74.31 110.916 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.9 m -76.71 155.11 33.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 75.35 110.842 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.14 -158.21 27.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 72.12 112.512 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.81 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 74.25 110.821 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 173.38 43.06 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-O 119.16 -0.8 . . . . 70.31 112.483 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.95 14.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 75.22 111.008 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.55 -4.15 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.006 -0.997 . . . . 75.31 111.138 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.01 -40.1 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 62.41 110.955 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.6 m -94.98 -24.58 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 72.42 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 72.11 112.462 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.34 . . . . 74.44 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.7 173.09 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 64.35 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.89 -179.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 75.42 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.51 149.04 30.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 64.32 110.906 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.99 126.87 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -81.94 169.45 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.878 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -69.45 -9.7 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.926 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -100.25 3.11 43.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.53 8.3 83.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 75.32 112.471 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -105.57 137.69 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 71.42 110.901 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.63 154.54 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.52 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.14 -158.22 26.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 70.13 112.472 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.12 -171.74 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.02 110.882 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.58 173.18 42.92 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.81 . . . . 64.43 112.475 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.91 14.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 73.43 111.016 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.61 -4.09 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.022 -0.99 . . . . 60.4 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.03 -40.16 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.946 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.99 -24.37 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 75.23 110.898 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 62.21 112.491 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.854 0.359 . . . . 74.11 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.0 m -67.73 177.37 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.89 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 64.31 110.896 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.835 0.35 . . . . 73.14 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -112.79 149.69 32.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.913 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.76 127.2 35.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.889 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.02 169.55 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -69.37 -9.85 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.862 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.67 5.51 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.01 8.71 86.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 71.42 112.479 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -105.08 137.18 43.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.962 0.41 . . . . 73.41 110.931 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 21.3 m -76.63 155.39 33.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 70.13 110.896 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 -158.14 27.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 73.41 112.455 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.84 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 64.25 110.856 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.31 173.43 43.37 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-O 119.146 -0.808 . . . . 74.33 112.448 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.74 14.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 74.44 111.028 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.994 -1.003 . . . . 63.54 111.078 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.27 -39.86 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 75.31 110.915 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 79.4 m -94.99 -24.46 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 62.03 112.473 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.853 0.359 . . . . 74.04 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.5 m -67.76 151.78 46.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.97 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 61.21 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.21 151.45 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.865 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.67 127.03 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 p -82.07 169.55 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 54.45 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -69.25 -9.93 55.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.916 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.88 6.13 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.18 9.08 86.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 62.1 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -105.3 137.14 43.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.948 0.404 . . . . 72.55 110.944 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 m -76.71 154.36 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 73.45 110.869 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.01 -158.06 26.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 75.1 112.459 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.58 -171.62 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 75.34 110.886 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 173.31 42.97 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 119.161 -0.799 . . . . 71.44 112.47 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.83 14.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 62.44 111.012 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.15 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.004 -0.998 . . . . 51.43 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.02 -39.99 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.889 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -95.11 -24.39 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 65.14 110.853 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 51.41 112.489 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 74.25 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.2 m -67.75 170.94 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 72.5 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.94 -179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.862 0.363 . . . . 74.53 110.94 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -108.89 149.0 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 61.34 110.872 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -85.45 127.07 34.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 65.34 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.01 169.48 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -9.69 54.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.04 110.886 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -100.14 2.99 43.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.67 8.45 82.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -106.05 137.28 44.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 71.31 110.908 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.62 154.87 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 75.55 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.12 -157.66 25.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 60.24 112.496 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.32 -171.75 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 74.23 110.849 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 173.19 43.41 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-O 119.146 -0.808 . . . . 72.43 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.8 14.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 74.22 111.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 71.33 111.104 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.05 -40.34 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.94 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -94.91 -24.33 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.01 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 60.42 112.485 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 75.04 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 19.8 m -67.81 178.16 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.3 110.877 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.95 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 64.11 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.4 m -113.97 148.9 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.66 127.57 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -82.03 169.32 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.871 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -9.77 55.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -99.91 2.97 44.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.04 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.16 83.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 63.22 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -105.62 137.06 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.967 0.413 . . . . 74.3 110.895 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 25.8 m -76.65 155.79 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 64.11 110.889 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.26 -157.65 26.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 72.41 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.67 -171.56 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 73.53 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.82 173.42 44.08 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 119.136 -0.813 . . . . 70.43 112.466 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -22.52 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 65.34 111.041 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.4 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.99 -1.004 . . . . 64.4 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.03 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.942 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.92 -24.36 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 72.03 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 75.33 112.519 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.891 0.377 . . . . 75.14 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 m -80.98 170.39 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.905 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 71.14 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.2 m -110.34 147.73 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.889 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.5 126.04 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -82.04 169.25 16.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.34 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.52 -9.62 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.92 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.41 3.32 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.934 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.06 8.75 83.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 73.24 112.437 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -106.07 138.52 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.946 0.403 . . . . 74.42 110.915 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.51 154.27 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 51.44 110.847 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.97 -159.08 28.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 74.34 112.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -130.81 -171.77 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 74.41 110.836 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.18 173.14 41.99 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 119.153 -0.804 . . . . 71.31 112.479 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.18 14.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.506 1.793 . . . . 72.14 111.017 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.79 -3.83 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 73.52 111.154 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -117.01 -39.93 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.941 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.9 m -95.03 -24.65 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 71.45 110.874 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 64.23 112.526 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 71.33 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.4 m -67.6 155.71 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.925 -179.876 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.831 0.348 . . . . 73.33 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.3 m -129.03 148.65 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.22 110.861 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.16 126.99 34.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 64.4 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.84 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.48 -9.67 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 73.01 110.91 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.42 4.42 43.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.95 84.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 73.44 112.517 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -106.36 137.12 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 72.45 110.924 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.43 157.46 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 62.45 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.58 -157.63 28.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 63.35 112.497 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.92 -171.56 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 45.43 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.36 44.22 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-O 119.111 -0.827 . . . . 60.54 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.47 14.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 74.01 110.997 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.45 -4.38 50.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.982 -1.008 . . . . 74.02 111.054 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.45 -40.12 3.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.873 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.97 -24.24 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 61.42 112.516 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.84 0.352 . . . . 73.31 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.7 m -67.63 155.25 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 65.42 110.874 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.965 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.887 0.375 . . . . 74.51 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.0 m -129.71 148.26 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.902 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.63 127.01 33.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.26 169.61 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.46 -9.65 54.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -100.44 4.4 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.23 9.12 84.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 75.14 112.462 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -106.6 136.99 45.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.971 0.415 . . . . 72.11 110.909 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.35 157.36 32.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.908 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.75 -157.52 27.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 74.52 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.72 -171.63 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 72.42 110.87 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.35 44.22 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 119.142 -0.81 . . . . 73.44 112.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.43 14.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 75.02 111.033 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.48 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.009 -0.996 . . . . 74.31 111.085 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.22 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.933 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.0 -24.05 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 73.44 112.502 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 75.34 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.2 m -67.67 155.52 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.881 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.878 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 73.5 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.47 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.872 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.86 127.26 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.86 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -82.21 169.51 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.871 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -69.57 -9.56 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 74.21 110.89 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -100.05 2.86 43.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.95 8.36 82.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 41.51 112.544 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -106.19 137.19 44.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 75.45 110.954 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.2 m -76.34 157.64 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -157.61 28.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 71.1 112.494 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -131.72 -171.59 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.962 0.41 . . . . 71.21 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.56 173.35 44.42 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-O 119.181 -0.788 . . . . 62.33 112.452 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.4 14.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 61.45 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.33 -4.47 51.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.007 -0.997 . . . . 74.22 111.103 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.53 -40.0 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.915 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.7 m -95.04 -24.24 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.872 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 75.14 112.481 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 71.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.522 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 61.1 m -67.83 157.27 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 53.45 110.893 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.925 -179.869 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.813 0.339 . . . . 74.33 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.92 145.56 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 61.53 110.904 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.87 126.73 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -82.11 169.63 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.05 110.835 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -69.52 -9.6 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.1 110.907 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.02 2.78 43.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 74.3 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.12 81.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 52.43 112.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -107.23 136.54 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 74.31 110.924 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.522 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.1 m -76.7 156.05 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.869 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.49 -157.06 25.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 52.52 112.501 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.2 -171.75 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 75.23 110.897 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.49 173.32 44.52 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 119.101 -0.833 . . . . 71.14 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.29 14.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.82 . . . . 72.34 110.993 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.34 -4.6 51.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.025 -0.988 . . . . 72.12 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.42 -40.1 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.939 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.83 -24.21 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 65.2 112.503 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 75.13 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 63.7 m -67.93 157.7 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 62.14 110.878 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.916 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.376 . . . . 75.14 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -123.57 145.28 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.907 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.77 126.54 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.17 169.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.88 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -69.48 -9.69 54.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.898 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.14 2.89 43.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.15 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.86 8.59 82.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 62.31 112.463 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -106.43 136.7 45.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 75.25 110.948 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.7 m -76.69 155.94 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.52 -157.37 25.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 60.5 112.52 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.09 -171.71 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 71.35 110.811 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.35 44.39 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 74.22 112.526 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -22.51 14.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 74.02 111.033 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.32 -4.45 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.007 -0.997 . . . . 62.41 111.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.47 -40.11 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.909 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -94.7 -24.38 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 50.23 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.708 -0.758 . . . . 71.31 112.455 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.864 0.364 . . . . 63.33 110.88 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.0 m -67.76 153.64 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.901 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.932 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 mt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.844 0.355 . . . . 72.43 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -132.99 147.6 52.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.907 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.3 t -82.58 125.59 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.863 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.18 169.68 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -69.47 -9.69 54.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.01 110.896 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -100.59 4.88 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.42 9.58 84.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.521 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.03 137.25 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 75.22 110.921 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.9 m -76.43 156.49 33.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.858 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.51 -157.63 27.3 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.775 -0.726 . . . . 60.23 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -131.54 -171.68 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 75.3 110.883 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 173.31 43.88 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-O 119.086 -0.841 . . . . 74.34 112.534 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 74.23 110.974 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.28 50.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.989 -1.005 . . . . 75.14 111.107 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -117.36 -40.23 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.902 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.6 m -94.92 -24.29 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 64.33 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 64.24 112.51 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.854 0.359 . . . . 72.45 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.74 154.88 40.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.882 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.882 0.372 . . . . 75.02 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -128.77 149.35 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.932 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -85.63 126.56 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 70.42 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -82.2 169.42 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 64.3 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -69.41 -9.71 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 73.52 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.57 5.07 43.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.26 9.26 85.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 62.33 112.496 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -106.32 137.47 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 74.41 110.943 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.2 m -76.41 157.14 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 54.32 110.903 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.62 -157.83 28.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 73.22 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -132.05 -171.51 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 75.44 110.881 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.03 173.34 43.79 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-O 119.137 -0.813 . . . . 44.51 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -22.72 14.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 73.42 111.017 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.36 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.0 -1.0 . . . . 74.44 111.107 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.24 -40.16 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.931 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.3 m -94.96 -24.4 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 73.15 112.488 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 75.02 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 55.7 m -67.93 156.29 37.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 65.41 110.937 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.913 -179.871 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 73.04 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.9 m -123.36 149.99 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.73 128.11 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.863 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.29 169.19 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.896 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -9.69 54.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.936 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.07 4.12 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.912 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.77 85.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 50.33 112.439 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -105.02 137.09 43.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 74.24 110.928 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 76.1 m -76.21 159.97 30.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 71.42 110.852 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.0 -157.46 29.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 71.13 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -133.03 -171.16 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 72.04 110.902 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.12 173.73 45.06 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 63.12 112.478 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.22 15.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 64.41 110.995 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.19 -4.72 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.984 . . . . 75.13 111.089 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.66 -39.79 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.893 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.9 m -94.74 -24.43 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 72.11 110.846 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 64.24 112.479 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 75.21 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 64.1 m -67.84 -176.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.851 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.925 -179.873 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.891 0.377 . . . . 75.11 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.1 m -122.45 142.99 49.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.06 127.08 32.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.877 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.83 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.837 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -69.44 -9.75 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 71.12 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.89 3.15 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 72.3 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.77 9.07 81.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 72.02 112.493 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 63.21 110.916 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 61.8 m -76.46 158.05 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 72.22 110.932 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.33 -156.49 25.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 74.45 112.429 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.68 -171.55 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.34 110.874 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.13 173.63 46.38 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 74.33 112.562 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.08 15.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 73.41 110.971 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.73 -5.05 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.021 -0.99 . . . . 65.21 111.097 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -117.98 -39.87 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.945 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -93.93 -24.49 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 75.22 110.865 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.712 . . . . 73.45 112.478 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.792 0.33 . . . . 74.25 110.938 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 55.7 m -67.98 -179.78 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.8 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.931 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 64.14 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -131.17 148.99 52.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.868 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.77 126.3 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.19 169.43 16.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.846 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.61 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.863 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -100.14 4.02 44.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 74.21 110.934 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.41 9.63 83.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 73.42 112.463 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -107.68 137.57 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 74.11 110.936 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -76.31 157.7 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 72.44 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.7 -157.86 28.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 44.25 112.484 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 t -131.75 -171.7 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 55.31 110.85 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 173.33 44.26 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.111 -0.827 . . . . 73.15 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.46 14.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 72.23 110.998 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.4 50.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.019 -0.991 . . . . 72.52 111.137 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.49 -40.12 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.25 110.966 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.0 -24.23 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 71.43 112.477 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.827 0.346 . . . . 73.44 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 38.2 m -67.81 178.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.889 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.925 -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.84 0.352 . . . . 72.55 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -134.81 144.88 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.902 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.37 126.49 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.877 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.89 15.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 74.35 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -69.5 -9.64 54.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 62.13 110.918 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -99.98 3.23 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 70.55 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.47 9.99 80.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 53.44 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -108.56 135.78 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.975 0.416 . . . . 74.55 110.947 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 59.2 m -76.55 157.04 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 64.31 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.21 -156.41 24.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 71.21 112.453 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.16 -171.78 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.365 . . . . 74.24 110.855 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.37 45.61 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.156 -0.802 . . . . 62.44 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.05 15.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.789 . . . . 71.11 111.003 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -4.83 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.932 -1.031 . . . . 70.35 111.082 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -117.74 -40.1 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 74.55 110.964 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.6 m -94.61 -24.21 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.876 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 72.31 112.495 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.807 0.336 . . . . 74.22 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.78 -72.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.08 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.47 137.49 6.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 73.32 112.472 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -90.18 142.98 27.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 74.53 110.923 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.9 m -67.78 152.11 46.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 62.44 110.884 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -108.14 115.06 29.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 47.51 41.54 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 73.04 110.862 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.35 31.66 68.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 73.2 112.45 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.85 133.71 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 75.34 110.851 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.4 m -116.91 152.56 34.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.871 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -88.66 -175.4 4.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 71.14 110.817 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.08 22.68 43.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 74.04 112.521 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.5 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.22 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.45 177.5 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 73.11 110.921 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -117.25 150.59 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.87 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -87.47 126.48 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 p -81.98 169.62 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -9.91 55.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.874 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -101.27 6.73 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 64.22 110.938 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 9.16 86.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 65.34 112.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -104.99 137.6 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 74.24 110.914 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 m -76.64 154.14 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.82 -158.46 27.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 75.22 112.45 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.68 -171.66 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 72.31 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.96 173.31 42.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 73.02 112.489 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.06 14.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 74.15 110.968 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.67 -4.01 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.029 -0.987 . . . . 75.32 111.118 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.88 -40.17 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.944 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.82 -24.67 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 45.35 112.487 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.786 0.327 . . . . 73.54 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.64 -50.39 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.52 111.091 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.27 137.62 4.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 53.4 112.47 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -90.17 142.85 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 74.33 110.876 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.6 m -67.78 172.1 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.938 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -131.95 107.6 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.911 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 47.83 36.9 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.873 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.38 29.38 49.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 62.51 112.523 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -141.55 133.69 27.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 74.32 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 56.5 m -125.18 155.01 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.885 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -82.95 176.48 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 23.98 40.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 62.32 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.56 35.16 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 72.45 112.491 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.08 178.1 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 73.41 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.9 m -113.44 150.7 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.874 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -87.4 126.48 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.886 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -81.99 169.63 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -9.97 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 73.52 110.912 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -101.24 6.75 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.949 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.45 9.17 86.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 35.55 112.532 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -104.97 137.58 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 73.34 110.964 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.73 154.09 34.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 64.22 110.922 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.92 -158.33 27.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 64.32 112.445 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.71 -171.65 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 64.43 110.835 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.94 173.26 42.38 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 65.42 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -23.16 14.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 74.41 110.998 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.03 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 72.01 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.84 -40.16 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.917 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.2 m -94.97 -24.49 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.42 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 62.34 112.499 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.781 0.325 . . . . 64.15 111.089 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.13 -63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 61.14 111.092 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.95 137.57 4.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.731 . . . . 75.25 112.513 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -90.09 142.15 27.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 74.35 110.907 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.2 m -67.74 152.17 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 60.12 110.89 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.16 105.63 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 47.5 35.19 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 73.4 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.63 32.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.711 . . . . 74.02 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.89 162.35 23.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 74.24 110.87 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 34.3 m -149.55 171.18 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.865 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -95.99 160.76 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.852 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.91 32.03 40.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 72.32 112.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.06 32.58 35.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 72.11 112.524 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -75.03 177.64 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 65.23 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.0 m -108.3 149.83 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 126.79 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.13 169.45 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -69.22 -9.9 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.92 5.97 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.914 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 8.96 86.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 74.34 112.46 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -105.23 137.48 42.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.935 0.398 . . . . 74.31 110.916 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.9 m -76.71 155.11 33.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 75.35 110.842 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.14 -158.21 27.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 72.12 112.512 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.81 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 74.25 110.821 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 173.38 43.06 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-O 119.16 -0.8 . . . . 70.31 112.483 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.95 14.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 75.22 111.008 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.55 -4.15 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.006 -0.997 . . . . 75.31 111.138 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.01 -40.1 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 62.41 110.955 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.6 m -94.98 -24.58 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 72.42 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 72.11 112.462 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.791 0.329 . . . . 75.41 111.095 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.63 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 63.41 111.125 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.31 137.53 4.41 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 75.33 112.49 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -90.19 140.66 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 74.44 110.929 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.722 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -67.7 173.09 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 64.35 110.892 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -131.95 104.04 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.89 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.65 41.29 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.834 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.0 59.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 54.23 112.476 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -139.02 122.04 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 73.42 110.857 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.722 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 53.7 m -109.43 170.57 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.886 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -96.04 169.9 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 73.1 110.838 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 56.38 27.33 53.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 34.55 112.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.29 24.21 36.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 70.22 112.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.19 177.1 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 75.42 110.936 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.51 149.04 30.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 64.32 110.906 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.99 126.87 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -81.94 169.45 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.878 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -69.45 -9.7 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.926 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -100.25 3.11 43.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.53 8.3 83.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 75.32 112.471 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -105.57 137.69 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 71.42 110.901 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.63 154.54 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.52 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.14 -158.22 26.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 70.13 112.472 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.12 -171.74 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.02 110.882 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.58 173.18 42.92 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.81 . . . . 64.43 112.475 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.91 14.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 73.43 111.016 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.61 -4.09 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.022 -0.99 . . . . 60.4 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.03 -40.16 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 75.04 110.946 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.99 -24.37 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 75.23 110.898 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 62.21 112.491 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 73.21 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.55 -70.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.14 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.71 137.42 6.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 53.24 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.28 143.87 26.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 74.11 110.945 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.0 m -67.73 177.37 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.89 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -132.03 95.13 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 64.31 110.896 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 47.26 35.51 3.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.21 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.97 18.05 33.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 72.15 112.486 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -125.82 110.58 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 73.41 110.86 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 7.1 m -104.11 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.845 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 p -68.96 132.31 46.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 62.24 110.846 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -110.3 0.99 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 62.04 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 33.77 3.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 65.52 112.483 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 mt -74.81 176.45 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 73.14 110.928 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -112.79 149.69 32.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.913 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.76 127.2 35.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.889 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.02 169.55 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -69.37 -9.85 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 75.43 110.862 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.67 5.51 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.01 8.71 86.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 71.42 112.479 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -105.08 137.18 43.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.962 0.41 . . . . 73.41 110.931 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 21.3 m -76.63 155.39 33.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 70.13 110.896 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 -158.14 27.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 73.41 112.455 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.84 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 64.25 110.856 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.31 173.43 43.37 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-O 119.146 -0.808 . . . . 74.33 112.448 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.74 14.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 74.44 111.028 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.994 -1.003 . . . . 63.54 111.078 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.27 -39.86 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 75.31 110.915 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 79.4 m -94.99 -24.46 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 62.03 112.473 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 72.22 111.15 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.7 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 55.42 111.13 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.46 137.52 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 60.13 112.458 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -90.14 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 74.04 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 21.5 m -67.76 151.78 46.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -108.29 120.85 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.97 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 47.83 34.32 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.899 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.99 34.74 51.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 71.02 112.455 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -145.92 145.6 30.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 64.54 110.878 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.4 m -132.3 136.99 47.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.865 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t -76.26 -173.04 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.81 23.6 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 62.51 112.484 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.55 23.84 36.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 73.02 112.507 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.3 mt -79.02 178.16 8.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 61.21 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.21 151.45 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.865 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.67 127.03 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 p -82.07 169.55 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 54.45 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -69.25 -9.93 55.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 75.13 110.916 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.88 6.13 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.18 9.08 86.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 62.1 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -105.3 137.14 43.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.948 0.404 . . . . 72.55 110.944 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 m -76.71 154.36 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 73.45 110.869 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.01 -158.06 26.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 75.1 112.459 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.58 -171.62 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 75.34 110.886 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 173.31 42.97 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 119.161 -0.799 . . . . 71.44 112.47 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.83 14.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 62.44 111.012 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.15 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.004 -0.998 . . . . 51.43 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.02 -39.99 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.889 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -95.11 -24.39 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 65.14 110.853 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 51.41 112.489 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.798 0.333 . . . . 64.45 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.74 -55.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.12 111.092 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.37 137.55 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 70.22 112.493 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -90.09 140.34 29.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 74.25 110.911 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.2 m -67.75 170.94 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 72.5 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -131.91 103.12 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.94 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.65 34.88 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.875 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.05 22.78 31.71 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 74.04 112.498 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.92 156.9 35.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 75.42 110.838 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 33.7 m -149.5 166.64 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 61.31 110.86 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 p -89.46 160.66 16.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 63.44 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.45 30.99 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 61.41 112.5 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.17 31.63 34.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 63.1 112.463 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.5 mt -74.94 177.71 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 74.53 110.94 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -108.89 149.0 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 61.34 110.872 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -85.45 127.07 34.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 65.34 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.01 169.48 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -9.69 54.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.04 110.886 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -100.14 2.99 43.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.67 8.45 82.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -106.05 137.28 44.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 71.31 110.908 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.62 154.87 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 75.55 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.12 -157.66 25.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 60.24 112.496 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.32 -171.75 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 74.23 110.849 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 173.19 43.41 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-O 119.146 -0.808 . . . . 72.43 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.8 14.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 74.22 111.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 71.33 111.104 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.05 -40.34 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.94 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -94.91 -24.33 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.01 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 60.42 112.485 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.798 0.332 . . . . 72.02 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.0 -50.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.14 111.089 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.66 137.54 4.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 63.44 112.492 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.2 141.8 28.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 75.04 110.962 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 19.8 m -67.81 178.16 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.3 110.877 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -131.98 94.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 47.28 35.47 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 75.52 110.847 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.6 17.56 33.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 50.44 112.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -124.75 111.33 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 73.54 110.892 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 9.3 m -104.55 -179.42 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 62.03 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -70.73 133.22 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 65.51 110.877 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.41 -110.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 65.22 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.31 33.27 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 64.21 112.476 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.5 mt -74.85 176.34 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 64.11 110.947 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.4 m -113.97 148.9 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.66 127.57 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -82.03 169.32 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.871 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -9.77 55.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -99.91 2.97 44.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.04 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.16 83.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 63.22 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -105.62 137.06 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.967 0.413 . . . . 74.3 110.895 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 25.8 m -76.65 155.79 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 64.11 110.889 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.26 -157.65 26.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 72.41 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.67 -171.56 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 73.53 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.82 173.42 44.08 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 119.136 -0.813 . . . . 70.43 112.466 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -22.52 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 65.34 111.041 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.4 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.99 -1.004 . . . . 64.4 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.03 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.942 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.92 -24.36 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 72.03 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 75.33 112.519 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.33 . . . . 75.55 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.77 -75.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 64.14 111.084 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.86 -136.88 3.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 64.43 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -90.1 169.9 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 75.14 110.923 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 15.8 m -80.98 170.39 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.89 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -131.89 106.02 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.905 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.75 35.23 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 71.51 110.936 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.32 27.58 36.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 74.51 112.45 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.37 122.8 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 73.11 110.842 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 42.8 m -103.65 166.39 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 65.41 110.873 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.0 t -96.09 174.08 7.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.849 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.35 21.95 49.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 61.33 112.462 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.61 20.34 59.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 70.52 112.506 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.01 176.37 7.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 71.14 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.2 m -110.34 147.73 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.889 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.5 126.04 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -82.04 169.25 16.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.34 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.52 -9.62 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.92 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.41 3.32 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.934 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.06 8.75 83.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 73.24 112.437 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -106.07 138.52 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.946 0.403 . . . . 74.42 110.915 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.51 154.27 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 51.44 110.847 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.97 -159.08 28.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 74.34 112.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -130.81 -171.77 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 74.41 110.836 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.18 173.14 41.99 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 119.153 -0.804 . . . . 71.31 112.479 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.18 14.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.506 1.793 . . . . 72.14 111.017 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.79 -3.83 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 73.52 111.154 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -117.01 -39.93 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.941 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.9 m -95.03 -24.65 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 71.45 110.874 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 64.23 112.526 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.313 . . . . 62.11 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.1 72.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 64.52 111.092 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.55 137.4 3.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 72.14 112.497 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.19 137.65 32.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 71.33 110.911 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.652 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 48.4 m -67.6 155.71 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -107.18 119.98 40.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.925 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 47.93 35.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.85 33.45 55.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 73.21 112.512 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -154.27 134.95 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 71.51 110.856 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 86.6 m -100.44 177.77 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.872 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -64.84 147.96 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 73.51 110.838 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.85 102.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 73.33 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.71 -36.09 2.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 74.14 112.432 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 mt -94.18 174.29 7.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 73.33 110.92 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.3 m -129.03 148.65 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.22 110.861 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.16 126.99 34.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 64.4 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.84 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.48 -9.67 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 73.01 110.91 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.42 4.42 43.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.95 84.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 73.44 112.517 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -106.36 137.12 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 72.45 110.924 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.43 157.46 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 62.45 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.58 -157.63 28.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 63.35 112.497 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.92 -171.56 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 45.43 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.36 44.22 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-O 119.111 -0.827 . . . . 60.54 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.47 14.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 74.01 110.997 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.45 -4.38 50.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.982 -1.008 . . . . 74.02 111.054 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.45 -40.12 3.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.873 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.97 -24.24 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 61.42 112.516 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.79 0.328 . . . . 64.33 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.72 -70.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 63.35 111.071 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.48 137.55 4.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 63.01 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -90.14 137.84 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 73.31 110.925 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.7 m -67.63 155.25 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 65.42 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -107.46 120.45 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 47.91 34.8 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 71.12 110.931 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.12 33.77 53.62 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 64.54 112.505 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -154.23 136.66 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 73.23 110.891 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 85.2 m -102.36 177.57 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.1 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -64.85 148.14 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.852 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.88 102.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 72.12 112.49 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.47 -35.91 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 61.12 112.45 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -94.15 174.4 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 74.51 110.886 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.0 m -129.71 148.26 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.902 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.63 127.01 33.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.26 169.61 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.46 -9.65 54.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -100.44 4.4 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.23 9.12 84.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 75.14 112.462 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -106.6 136.99 45.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.971 0.415 . . . . 72.11 110.909 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.35 157.36 32.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.908 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.75 -157.52 27.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 74.52 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.72 -171.63 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 72.42 110.87 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.35 44.22 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 119.142 -0.81 . . . . 73.44 112.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.43 14.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 75.02 111.033 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.48 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.009 -0.996 . . . . 74.31 111.085 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.22 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.933 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.0 -24.05 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 73.44 112.502 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.784 0.326 . . . . 73.14 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 -68.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 52.02 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.33 137.62 4.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 73.53 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.2 137.53 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 75.34 110.889 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 43.2 m -67.67 155.52 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.881 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -107.42 119.99 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.878 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 47.84 35.48 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 75.53 110.891 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.58 55.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 73.23 112.512 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -154.24 135.2 13.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.373 . . . . 75.34 110.866 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 84.7 m -100.73 177.65 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 52.45 110.913 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -64.88 148.09 52.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.826 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.86 102.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 75.25 112.523 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.63 -36.13 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 53.5 112.514 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.1 174.45 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 73.5 110.956 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.47 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.872 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.86 127.26 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.86 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -82.21 169.51 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.871 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -69.57 -9.56 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 74.21 110.89 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -100.05 2.86 43.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.95 8.36 82.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 41.51 112.544 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -106.19 137.19 44.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 75.45 110.954 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.2 m -76.34 157.64 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -157.61 28.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 71.1 112.494 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -131.72 -171.59 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.962 0.41 . . . . 71.21 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.56 173.35 44.42 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-O 119.181 -0.788 . . . . 62.33 112.452 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.4 14.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 61.45 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.33 -4.47 51.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.007 -0.997 . . . . 74.22 111.103 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.53 -40.0 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.915 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.7 m -95.04 -24.24 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.872 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 75.14 112.481 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.776 0.322 . . . . 74.34 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.98 -75.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 72.34 111.12 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.88 -135.48 2.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 65.34 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.13 143.18 27.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 71.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.991 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 61.1 m -67.83 157.27 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 53.45 110.893 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -100.32 119.24 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.925 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 47.94 34.47 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 74.3 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.44 49.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 75.42 112.47 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.25 135.1 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.365 . . . . 74.11 110.87 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.991 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 71.9 m -103.89 -173.3 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 m -143.52 -172.35 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 73.32 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.43 20.61 55.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 75.45 112.499 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.15 19.13 79.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 73.51 112.489 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.99 174.29 8.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.339 . . . . 74.33 110.939 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.92 145.56 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 61.53 110.904 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.87 126.73 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -82.11 169.63 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.05 110.835 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -69.52 -9.6 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.1 110.907 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.02 2.78 43.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 74.3 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.12 81.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 52.43 112.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -107.23 136.54 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 74.31 110.924 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.522 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.1 m -76.7 156.05 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.869 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.49 -157.06 25.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 52.52 112.501 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.2 -171.75 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 75.23 110.897 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.49 173.32 44.52 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 119.101 -0.833 . . . . 71.14 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.29 14.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.82 . . . . 72.34 110.993 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.34 -4.6 51.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.025 -0.988 . . . . 72.12 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.42 -40.1 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.939 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.83 -24.21 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 65.2 112.503 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.771 0.319 . . . . 74.13 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.97 -76.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 74.22 111.12 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.03 -135.58 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 73.4 112.502 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -90.14 146.81 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 75.13 110.907 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.076 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 63.7 m -67.93 157.7 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 62.14 110.878 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -99.6 119.69 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.916 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 47.9 34.21 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 74.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.37 33.57 48.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 73.13 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.18 135.8 14.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 75.15 110.923 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.076 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 72.6 m -105.53 -173.1 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.87 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m -143.45 -172.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.89 19.64 50.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 73.21 112.484 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.61 21.29 79.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 70.11 112.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 mt -88.09 174.77 8.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.376 . . . . 75.14 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -123.57 145.28 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.907 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.77 126.54 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.17 169.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.88 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -69.48 -9.69 54.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.898 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.14 2.89 43.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.15 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.86 8.59 82.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 62.31 112.463 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -106.43 136.7 45.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 75.25 110.948 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.7 m -76.69 155.94 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.52 -157.37 25.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 60.5 112.52 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.09 -171.71 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 71.35 110.811 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.35 44.39 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 74.22 112.526 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -22.51 14.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 74.02 111.033 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.32 -4.45 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.007 -0.997 . . . . 62.41 111.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.47 -40.11 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.909 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -94.7 -24.38 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 50.23 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.708 -0.758 . . . . 71.31 112.455 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.791 0.329 . . . . 72.24 111.103 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.02 -75.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 74.11 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.2 -135.9 2.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 70.21 112.463 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -90.27 146.65 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 63.33 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 31.0 m -67.76 153.64 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.901 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -108.09 120.25 41.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.932 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 47.5 35.14 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 75.34 110.894 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.37 35.93 59.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 73.44 112.495 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -151.76 132.92 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 75.34 110.873 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 81.5 m -104.04 -175.99 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -64.85 156.66 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.863 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.09 94.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 75.22 112.474 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.32 -23.47 4.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.492 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 mt -94.16 174.17 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.355 . . . . 72.43 110.933 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -132.99 147.6 52.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.907 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.3 t -82.58 125.59 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.863 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.18 169.68 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -69.47 -9.69 54.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.01 110.896 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -100.59 4.88 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.42 9.58 84.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.521 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.03 137.25 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 75.22 110.921 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.9 m -76.43 156.49 33.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.858 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.51 -157.63 27.3 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.775 -0.726 . . . . 60.23 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -131.54 -171.68 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 75.3 110.883 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 173.31 43.88 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-O 119.086 -0.841 . . . . 74.34 112.534 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 74.23 110.974 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.28 50.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.989 -1.005 . . . . 75.14 111.107 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -117.36 -40.23 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.902 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.6 m -94.92 -24.29 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 64.33 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 64.24 112.51 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.807 0.337 . . . . 70.02 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.04 -76.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.23 111.092 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.67 -134.35 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 65.11 112.478 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.2 144.71 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 72.45 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 36.4 m -67.74 154.88 40.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.861 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.34 118.14 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.882 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 47.84 35.07 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 73.03 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.02 33.14 51.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 74.55 112.524 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.16 135.04 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 72.3 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 83.9 m -101.22 177.22 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 72.24 110.883 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 t -64.86 147.61 52.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.77 102.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 64.53 112.521 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.15 -35.99 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 74.34 112.472 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.8 mt -94.15 174.54 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 75.02 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -128.77 149.35 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.932 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -85.63 126.56 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 70.42 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -82.2 169.42 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 64.3 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -69.41 -9.71 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 73.52 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.57 5.07 43.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.26 9.26 85.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 62.33 112.496 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -106.32 137.47 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 74.41 110.943 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.2 m -76.41 157.14 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 54.32 110.903 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.62 -157.83 28.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 73.22 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -132.05 -171.51 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 75.44 110.881 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.03 173.34 43.79 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-O 119.137 -0.813 . . . . 44.51 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -22.72 14.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 73.42 111.017 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.36 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.0 -1.0 . . . . 74.44 111.107 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.24 -40.16 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.931 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.3 m -94.96 -24.4 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 73.15 112.488 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.798 0.332 . . . . 74.32 111.066 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.19 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.52 111.076 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.1 -131.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 73.25 112.49 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -90.09 148.34 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 75.02 110.924 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 55.7 m -67.93 156.29 37.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 65.41 110.937 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -107.81 116.66 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.913 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 47.68 40.56 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.8 31.99 67.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.31 112.483 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -144.3 135.61 25.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 72.13 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 57.6 m -101.44 -176.0 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.898 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -92.98 152.53 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.861 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.9 -113.67 2.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 74.33 112.462 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.69 30.11 4.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 62.44 112.468 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.86 175.68 7.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 73.04 110.912 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.9 m -123.36 149.99 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.73 128.11 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.863 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.29 169.19 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.896 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -9.69 54.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.936 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.07 4.12 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.912 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.77 85.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 50.33 112.439 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -105.02 137.09 43.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 74.24 110.928 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 76.1 m -76.21 159.97 30.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 71.42 110.852 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.0 -157.46 29.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 71.13 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -133.03 -171.16 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 72.04 110.902 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.12 173.73 45.06 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 63.12 112.478 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.22 15.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 64.41 110.995 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.19 -4.72 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.984 . . . . 75.13 111.089 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.66 -39.79 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.893 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.9 m -94.74 -24.43 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 72.11 110.846 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 64.24 112.479 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.811 0.339 . . . . 73.41 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.39 -44.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.5 111.12 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.41 137.59 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 72.11 112.466 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -90.18 138.35 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 75.21 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 64.1 m -67.84 -176.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.851 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.59 116.59 17.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.925 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 48.04 33.31 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 73.3 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.42 33.08 40.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 53.44 112.491 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -154.16 135.14 13.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 60.53 110.909 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 73.6 m -102.97 -172.13 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 71.42 110.874 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -143.03 -173.05 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 72.52 110.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.17 17.85 46.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 73.2 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.58 22.0 73.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 63.41 112.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -93.0 174.64 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 75.11 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.1 m -122.45 142.99 49.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.06 127.08 32.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.877 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.83 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.837 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -69.44 -9.75 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 71.12 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.89 3.15 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 72.3 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.77 9.07 81.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 72.02 112.493 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 63.21 110.916 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 61.8 m -76.46 158.05 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 72.22 110.932 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.33 -156.49 25.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 74.45 112.429 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.68 -171.55 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.34 110.874 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.13 173.63 46.38 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 74.33 112.562 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.08 15.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 73.41 110.971 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.73 -5.05 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.021 -0.99 . . . . 65.21 111.097 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -117.98 -39.87 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.945 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -93.93 -24.49 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 75.22 110.865 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.712 . . . . 73.45 112.478 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.34 . . . . 73.03 111.098 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.98 -63.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 71.3 111.091 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.28 -134.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 62.51 112.515 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.41 146.86 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 74.25 110.938 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 55.7 m -67.98 -179.78 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -131.62 117.32 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.931 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.87 33.02 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 71.32 110.878 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.59 45.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 71.52 112.499 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -150.91 134.82 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 74.34 110.865 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.2 m -107.21 -175.42 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.875 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -64.44 155.48 32.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 70.51 110.84 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.91 95.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.788 -0.72 . . . . 71.54 112.44 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.33 -25.79 3.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 60.1 112.497 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 mt -94.54 173.33 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 64.14 110.909 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -131.17 148.99 52.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.868 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.77 126.3 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.19 169.43 16.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.846 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.61 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.863 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -100.14 4.02 44.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 74.21 110.934 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.41 9.63 83.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 73.42 112.463 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -107.68 137.57 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 74.11 110.936 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -76.31 157.7 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 72.44 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.7 -157.86 28.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 44.25 112.484 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 t -131.75 -171.7 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 55.31 110.85 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 173.33 44.26 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.111 -0.827 . . . . 73.15 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.46 14.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 72.23 110.998 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.4 50.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.019 -0.991 . . . . 72.52 111.137 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.49 -40.12 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.25 110.966 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.0 -24.23 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 71.43 112.477 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.867 0.365 . . . . 75.44 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.97 -25.49 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 73.14 111.132 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.21 -133.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 70.32 112.466 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -70.88 144.05 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 73.44 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 38.2 m -67.81 178.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.889 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.68 116.41 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.925 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 47.76 33.84 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 74.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.28 35.26 48.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 75.22 112.463 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -145.27 134.99 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 75.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.8 m -112.04 -175.13 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.894 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -64.36 158.41 23.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.88 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.46 93.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 70.23 112.477 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.92 -19.7 5.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 75.41 112.507 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.7 mt -94.26 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 72.55 110.91 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -134.81 144.88 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.902 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.37 126.49 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.877 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.89 15.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 74.35 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -69.5 -9.64 54.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 62.13 110.918 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -99.98 3.23 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 70.55 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.47 9.99 80.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 53.44 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -108.56 135.78 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.975 0.416 . . . . 74.55 110.947 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 59.2 m -76.55 157.04 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 64.31 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.21 -156.41 24.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 71.21 112.453 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.16 -171.78 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.365 . . . . 74.24 110.855 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.37 45.61 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.156 -0.802 . . . . 62.44 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.05 15.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.789 . . . . 71.11 111.003 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -4.83 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.932 -1.031 . . . . 70.35 111.082 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -117.74 -40.1 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 74.55 110.964 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.6 m -94.61 -24.21 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 74.1 110.876 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 72.31 112.495 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.339 . . . . 74.530000000000001 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -67.78 152.11 46.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 62.439999999999998 110.884 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 72.420000000000002 110.911 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.855 0.36 . . . . 72.209999999999994 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -117.25 150.59 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.87 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -87.47 126.48 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 p -81.98 169.62 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 110.847 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -9.91 55.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.209999999999994 110.874 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -101.27 6.73 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 64.219999999999999 110.938 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 9.16 86.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 65.340000000000003 112.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -104.99 137.6 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 74.239999999999995 110.914 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 m -76.64 154.14 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 71.140000000000001 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.82 -158.46 27.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 75.219999999999999 112.45 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.68 -171.66 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 72.310000000000002 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.96 173.31 42.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 73.019999999999996 112.489 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.06 14.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 74.150000000000006 110.968 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.67 -4.01 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.029 -0.987 . . . . 75.120000000000005 111.118 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.88 -40.17 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.944 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.82 -24.67 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 64.219999999999999 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 35.439999999999998 112.487 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 74.329999999999998 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.6 m -67.78 172.1 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.6 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 110.911 -179.863 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.857 0.36 . . . . 73.409999999999997 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.9 m -113.44 150.7 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.439999999999998 110.874 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -87.4 126.48 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 64.219999999999999 110.886 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -81.99 169.63 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.400000000000006 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -9.97 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 72.319999999999993 110.912 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -101.24 6.75 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 73.409999999999997 110.949 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.45 9.17 86.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 35.549999999999997 112.532 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -104.97 137.58 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 71.040000000000006 110.964 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.73 154.09 34.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 64.219999999999999 110.922 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.92 -158.33 27.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 42.219999999999999 112.445 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.71 -171.65 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 64.140000000000001 110.835 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.94 173.26 42.38 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 65.420000000000002 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -23.16 14.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 73.140000000000001 110.998 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.03 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 70.420000000000002 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.84 -40.16 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.310000000000002 110.917 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.2 m -94.97 -24.49 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.099999999999994 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 62.340000000000003 112.499 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.87 0.367 . . . . 74.349999999999994 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.2 m -67.74 152.17 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 60.119999999999997 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.519999999999996 110.935 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.856 0.36 . . . . 63.310000000000002 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.0 m -108.3 149.83 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 126.79 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 71.420000000000002 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.13 169.45 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.230000000000004 110.873 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -69.22 -9.9 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.92 5.97 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 72.510000000000005 110.914 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 8.96 86.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 74.340000000000003 112.46 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -105.23 137.48 42.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.935 0.398 . . . . 74.310000000000002 110.916 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.9 m -76.71 155.11 33.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 63.409999999999997 110.842 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.14 -158.21 27.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 72.120000000000005 112.512 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.81 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 74.25 110.821 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 173.38 43.06 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-O 119.16 -0.8 . . . . 62.420000000000002 112.483 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.95 14.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 74.5 111.008 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.55 -4.15 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.006 -0.997 . . . . 71.439999999999998 111.138 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.01 -40.1 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 60.439999999999998 110.955 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.6 m -94.98 -24.58 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 71.329999999999998 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 72.109999999999999 112.462 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.34 . . . . 74.439999999999998 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.7 173.09 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 62.130000000000003 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.519999999999996 110.89 -179.876 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 75.420000000000002 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.51 149.04 30.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 110.906 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.99 126.87 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -81.94 169.45 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.019999999999996 110.878 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -69.45 -9.7 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.409999999999997 110.926 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -100.25 3.11 43.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.53 8.3 83.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 62.210000000000001 112.471 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -105.57 137.69 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 63.229999999999997 110.901 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.63 154.54 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.519999999999996 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.14 -158.22 26.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 70.129999999999995 112.472 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.12 -171.74 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.019999999999996 110.882 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.58 173.18 42.92 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.81 . . . . 64.430000000000007 112.475 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.91 14.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 62.409999999999997 111.016 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.61 -4.09 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.022 -0.99 . . . . 53.399999999999999 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.03 -40.16 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.019999999999996 110.946 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.99 -24.37 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 61.450000000000003 110.898 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 53.130000000000003 112.491 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.854 0.359 . . . . 74.109999999999999 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 m -67.73 177.37 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.319999999999993 110.89 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 64.310000000000002 110.896 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.835 0.35 . . . . 73.140000000000001 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -112.79 149.69 32.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 65.340000000000003 110.913 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.76 127.2 35.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 33.409999999999997 110.889 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.02 169.55 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 55.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -69.37 -9.85 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 73.439999999999998 110.862 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.67 5.51 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.349999999999994 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.01 8.71 86.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 71.420000000000002 112.479 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -105.08 137.18 43.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.962 0.41 . . . . 70.209999999999994 110.931 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 m -76.63 155.39 33.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 70.129999999999995 110.896 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 -158.14 27.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 31.039999999999999 112.455 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.84 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 62.109999999999999 110.856 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.31 173.43 43.37 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-O 119.146 -0.808 . . . . 74.329999999999998 112.448 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.74 14.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 74.439999999999998 111.028 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.994 -1.003 . . . . 52.119999999999997 111.078 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.27 -39.86 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 75.310000000000002 110.915 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 79.4 m -94.99 -24.46 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 72.310000000000002 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 62.030000000000001 112.473 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.853 0.359 . . . . 73.200000000000003 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.5 m -67.76 151.78 46.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 53.340000000000003 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.019999999999996 110.97 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 23' ' ' GLY . 27.3 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 53.43 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.21 151.45 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.539999999999999 110.865 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.67 127.03 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.400000000000006 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 p -82.07 169.55 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 54.450000000000003 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -69.25 -9.93 55.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 73.120000000000005 110.916 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.88 6.13 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.18 9.08 86.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 62.100000000000001 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -105.3 137.14 43.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.948 0.404 . . . . 72.549999999999997 110.944 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 m -76.71 154.36 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 73.450000000000003 110.869 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' C ' HD22 ' A' ' 14' ' ' LEU . . . 174.01 -158.06 26.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 55.329999999999998 112.459 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.58 -171.62 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 75.340000000000003 110.886 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 173.31 42.97 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 119.161 -0.799 . . . . 53.100000000000001 112.47 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.83 14.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 23.239999999999998 111.012 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.15 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.004 -0.998 . . . . 51.43 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.02 -39.99 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.889 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -95.11 -24.39 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.853 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 51.409999999999997 112.489 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 74.25 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.2 m -67.75 170.94 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.109999999999999 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.400000000000006 110.94 -179.893 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.434 HD22 ' C ' ' A' ' 23' ' ' GLY . 32.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.862 0.363 . . . . 70.400000000000006 110.94 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -108.89 149.0 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 51.020000000000003 110.872 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -85.45 127.07 34.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 52.25 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.01 169.48 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.219999999999999 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -9.69 54.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.040000000000006 110.886 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -100.14 2.99 43.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.219999999999999 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.67 8.45 82.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.723 -0.751 . . . . 74.239999999999995 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -106.05 137.28 44.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 71.310000000000002 110.908 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.62 154.87 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 75.549999999999997 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' HD22 ' A' ' 14' ' ' LEU . . . 174.12 -157.66 25.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 23.109999999999999 112.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.32 -171.75 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 74.230000000000004 110.849 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 173.19 43.41 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-O 119.146 -0.808 . . . . 62.130000000000003 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.8 14.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 73.319999999999993 111.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 71.329999999999998 111.104 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.05 -40.34 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.010000000000005 110.94 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -94.91 -24.33 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 60.420000000000002 112.485 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 75.040000000000006 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.8 m -67.81 178.16 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.877 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.95 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 64.109999999999999 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.4 m -113.97 148.9 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 54.310000000000002 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.66 127.57 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 74.439999999999998 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -82.03 169.32 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.420000000000002 110.871 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -9.77 55.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -99.91 2.97 44.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.16 83.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 63.219999999999999 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -105.62 137.06 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.967 0.413 . . . . 74.299999999999997 110.895 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.8 m -76.65 155.79 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.009999999999998 110.889 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.26 -157.65 26.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 72.409999999999997 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.67 -171.56 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 73.530000000000001 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.82 173.42 44.08 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 119.136 -0.813 . . . . 70.430000000000007 112.466 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -22.52 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 65.340000000000003 111.041 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.4 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.99 -1.004 . . . . 64.400000000000006 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.03 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.942 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.92 -24.36 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 72.030000000000001 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 62.240000000000002 112.519 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.891 0.377 . . . . 75.140000000000001 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 m -80.98 170.39 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 70.25 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.905 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 71.019999999999996 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.2 m -110.34 147.73 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.510000000000005 110.889 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.5 126.04 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -82.04 169.25 16.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.52 -9.62 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 43.210000000000001 110.92 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.41 3.32 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.319999999999993 110.934 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.06 8.75 83.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 63.140000000000001 112.437 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -106.07 138.52 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.946 0.403 . . . . 74.310000000000002 110.915 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.51 154.27 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 51.439999999999998 110.847 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.97 -159.08 28.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 72.409999999999997 112.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -130.81 -171.77 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 74.409999999999997 110.836 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.18 173.14 41.99 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 119.153 -0.804 . . . . 43.509999999999998 112.479 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.18 14.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.506 1.793 . . . . 64.010000000000005 111.017 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.79 -3.83 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 60.539999999999999 111.154 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -117.01 -39.93 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.941 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.9 m -95.03 -24.65 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 51.130000000000003 110.874 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 64.109999999999999 112.526 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 71.329999999999998 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.4 m -67.6 155.71 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 62.340000000000003 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.925 -179.876 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.831 0.348 . . . . 71.109999999999999 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.3 m -129.03 148.65 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.219999999999999 110.861 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.16 126.99 34.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 64.400000000000006 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.84 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.48 -9.67 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 71.129999999999995 110.91 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.42 4.42 43.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.95 84.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 73.439999999999998 112.517 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -106.36 137.12 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 72.450000000000003 110.924 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.43 157.46 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 62.450000000000003 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.58 -157.63 28.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 62.030000000000001 112.497 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.92 -171.56 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 43.32 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.36 44.22 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-O 119.111 -0.827 . . . . 52.109999999999999 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.47 14.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 54.450000000000003 110.997 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.45 -4.38 50.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.982 -1.008 . . . . 74.019999999999996 111.054 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.45 -40.12 3.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 110.873 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.97 -24.24 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 61.420000000000002 112.516 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.84 0.352 . . . . 71.129999999999995 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.7 m -67.63 155.25 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 41.439999999999998 110.874 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.965 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.887 0.375 . . . . 74.510000000000005 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.0 m -129.71 148.26 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 71.420000000000002 110.902 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.63 127.01 33.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.26 169.61 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.450000000000003 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.46 -9.65 54.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -100.44 4.4 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.23 9.12 84.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 75.140000000000001 112.462 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -106.6 136.99 45.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.971 0.415 . . . . 72.109999999999999 110.909 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.35 157.36 32.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 73.219999999999999 110.908 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.75 -157.52 27.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 74.519999999999996 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.72 -171.63 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 65.239999999999995 110.87 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.35 44.22 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 119.142 -0.81 . . . . 73.439999999999998 112.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.43 14.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 72.319999999999993 111.033 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.48 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.009 -0.996 . . . . 73.519999999999996 111.085 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.22 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 71.019999999999996 110.933 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.0 -24.05 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.349999999999994 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 73.439999999999998 112.502 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 75.340000000000003 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.2 m -67.67 155.52 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.881 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.878 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 73.5 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.47 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.230000000000004 110.872 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.86 127.26 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 51.520000000000003 110.86 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -82.21 169.51 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.109999999999999 110.871 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -69.57 -9.56 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 73.519999999999996 110.89 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -100.05 2.86 43.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 71.019999999999996 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.95 8.36 82.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 41.509999999999998 112.544 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -106.19 137.19 44.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 45.520000000000003 110.954 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.2 m -76.34 157.64 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.230000000000004 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -157.61 28.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 55.530000000000001 112.494 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -131.72 -171.59 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.962 0.41 . . . . 71.209999999999994 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.56 173.35 44.42 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-O 119.181 -0.788 . . . . 62.329999999999998 112.452 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.4 14.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 61.450000000000003 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.33 -4.47 51.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.007 -0.997 . . . . 52.399999999999999 111.103 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.53 -40.0 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 55.399999999999999 110.915 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.7 m -95.04 -24.24 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 110.872 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 75.140000000000001 112.481 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 64.239999999999995 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.1 m -67.83 157.27 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 42.119999999999997 110.893 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.925 -179.869 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.813 0.339 . . . . 64.049999999999997 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.92 145.56 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 42.32 110.904 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.87 126.73 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.140000000000001 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -82.11 169.63 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.835 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -69.52 -9.6 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.099999999999994 110.907 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.02 2.78 43.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 65.319999999999993 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.12 81.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 42.340000000000003 112.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -107.23 136.54 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 64.409999999999997 110.924 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 m -76.7 156.05 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 74.019999999999996 110.869 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.49 -157.06 25.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 52.520000000000003 112.501 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.2 -171.75 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 73.230000000000004 110.897 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.49 173.32 44.52 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 119.101 -0.833 . . . . 44.200000000000003 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.29 14.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.82 . . . . 72.340000000000003 110.993 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.34 -4.6 51.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.025 -0.988 . . . . 70.409999999999997 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.42 -40.1 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 65.109999999999999 110.939 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.83 -24.21 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 73.230000000000004 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 65.200000000000003 112.503 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 61.439999999999998 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 63.7 m -67.93 157.7 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 44.030000000000001 110.878 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.916 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.376 . . . . 75.140000000000001 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -123.57 145.28 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.120000000000005 110.907 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.77 126.54 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.17 169.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.88 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -69.48 -9.69 54.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 72.430000000000007 110.898 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.14 2.89 43.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.150000000000006 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.86 8.59 82.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 62.310000000000002 112.463 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -106.43 136.7 45.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 70.049999999999997 110.948 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.7 m -76.69 155.94 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 64.010000000000005 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.52 -157.37 25.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 60.5 112.52 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.09 -171.71 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 71.349999999999994 110.811 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.35 44.39 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 74.219999999999999 112.526 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -22.51 14.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 63.149999999999999 111.033 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.32 -4.45 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.007 -0.997 . . . . 62.409999999999997 111.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.47 -40.11 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.909 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -94.7 -24.38 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 50.229999999999997 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.708 -0.758 . . . . 71.310000000000002 112.455 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.864 0.364 . . . . 63.329999999999998 110.88 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.0 m -67.76 153.64 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.019999999999996 110.901 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.299999999999997 110.932 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 mt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.844 0.355 . . . . 61.539999999999999 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -132.99 147.6 52.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.329999999999998 110.907 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.3 t -82.58 125.59 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.450000000000003 110.863 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.18 169.68 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 64.030000000000001 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -69.47 -9.69 54.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.010000000000005 110.896 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -100.59 4.88 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 73.219999999999999 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.42 9.58 84.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 73.329999999999998 112.521 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.03 137.25 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 75.219999999999999 110.921 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.9 m -76.43 156.49 33.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 73.200000000000003 110.858 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.51 -157.63 27.3 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.775 -0.726 . . . . 60.229999999999997 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -131.54 -171.68 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 74.040000000000006 110.883 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 173.31 43.88 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-O 119.086 -0.841 . . . . 70.439999999999998 112.534 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 74.230000000000004 110.974 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.28 50.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.989 -1.005 . . . . 75.140000000000001 111.107 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -117.36 -40.23 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 110.902 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.6 m -94.92 -24.29 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 64.329999999999998 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 63.219999999999999 112.51 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.854 0.359 . . . . 72.209999999999994 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.74 154.88 40.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 73.439999999999998 110.882 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.882 0.372 . . . . 72.430000000000007 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -128.77 149.35 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.150000000000006 110.932 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -85.63 126.56 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 70.129999999999995 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -82.2 169.42 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 64.299999999999997 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -69.41 -9.71 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 73.219999999999999 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.57 5.07 43.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.26 9.26 85.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 62.329999999999998 112.496 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -106.32 137.47 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 71.219999999999999 110.943 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.2 m -76.41 157.14 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 54.32 110.903 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.62 -157.83 28.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 72.310000000000002 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -132.05 -171.51 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 75.439999999999998 110.881 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.03 173.34 43.79 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-O 119.137 -0.813 . . . . 23.039999999999999 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -22.72 14.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 61.310000000000002 111.017 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.36 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.0 -1.0 . . . . 74.439999999999998 111.107 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.24 -40.16 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.931 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.3 m -94.96 -24.4 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 73.219999999999999 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 73.150000000000006 112.488 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 75.019999999999996 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 55.7 m -67.93 156.29 37.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 65.409999999999997 110.937 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.913 -179.871 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 73.019999999999996 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.9 m -123.36 149.99 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 70.120000000000005 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.73 128.11 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 71.219999999999999 110.863 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.29 169.19 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.549999999999997 110.896 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -9.69 54.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.439999999999998 110.936 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.07 4.12 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.129999999999995 110.912 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.77 85.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 50.329999999999998 112.439 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -105.02 137.09 43.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 74.239999999999995 110.928 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 76.1 m -76.21 159.97 30.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 71.420000000000002 110.852 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.0 -157.46 29.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 51.020000000000003 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -133.03 -171.16 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 72.040000000000006 110.902 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.12 173.73 45.06 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 63.119999999999997 112.478 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.22 15.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 64.340000000000003 110.995 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.19 -4.72 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.984 . . . . 75.129999999999995 111.089 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.66 -39.79 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.340000000000003 110.893 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.9 m -94.74 -24.43 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 72.109999999999999 110.846 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 64.239999999999995 112.479 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 75.209999999999994 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 64.1 m -67.84 -176.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 73.329999999999998 110.851 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.925 -179.873 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.891 0.377 . . . . 64.010000000000005 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.1 m -122.45 142.99 49.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.06 127.08 32.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.877 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.83 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 55.399999999999999 110.837 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -69.44 -9.75 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 70.049999999999997 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.89 3.15 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 71.040000000000006 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.77 9.07 81.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 72.019999999999996 112.493 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 60.439999999999998 110.916 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 61.8 m -76.46 158.05 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 72.219999999999999 110.932 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.33 -156.49 25.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 74.450000000000003 112.429 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.68 -171.55 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.340000000000003 110.874 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.13 173.63 46.38 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 74.329999999999998 112.562 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.08 15.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 73.409999999999997 110.971 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.73 -5.05 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.021 -0.99 . . . . 61.420000000000002 111.097 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -117.98 -39.87 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.319999999999993 110.945 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -93.93 -24.49 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 63.109999999999999 110.865 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.712 . . . . 73.450000000000003 112.478 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.792 0.33 . . . . 73.099999999999994 110.938 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 55.7 m -67.98 -179.78 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 64.450000000000003 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.8 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 71.25 110.931 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 52.0 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -131.17 148.99 52.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 72.340000000000003 110.868 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.77 126.3 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 73.120000000000005 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.19 169.43 16.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.846 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.61 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.129999999999995 110.863 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -100.14 4.02 44.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 63.340000000000003 110.934 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.41 9.63 83.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 71.329999999999998 112.463 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -107.68 137.57 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 74.109999999999999 110.936 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -76.31 157.7 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 72.439999999999998 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.7 -157.86 28.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 44.25 112.484 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 t -131.75 -171.7 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 55.310000000000002 110.85 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 173.33 44.26 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.111 -0.827 . . . . 45.43 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.46 14.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 72.230000000000004 110.998 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.4 50.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.019 -0.991 . . . . 43.450000000000003 111.137 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.49 -40.12 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.25 110.966 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.0 -24.23 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.129999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 71.430000000000007 112.477 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.827 0.346 . . . . 73.439999999999998 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 38.2 m -67.81 178.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 64.109999999999999 110.889 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.329999999999998 110.925 -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.84 0.352 . . . . 72.549999999999997 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -134.81 144.88 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 53.539999999999999 110.902 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.37 126.49 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.89 15.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 74.349999999999994 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -69.5 -9.64 54.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 54.140000000000001 110.918 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -99.98 3.23 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.409999999999997 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.47 9.99 80.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 53.439999999999998 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -108.56 135.78 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.975 0.416 . . . . 72.230000000000004 110.947 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 59.2 m -76.55 157.04 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 52.240000000000002 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.21 -156.41 24.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 63.439999999999998 112.453 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.16 -171.78 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.365 . . . . 74.239999999999995 110.855 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.37 45.61 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.156 -0.802 . . . . 61.32 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.05 15.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.789 . . . . 64.439999999999998 111.003 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -4.83 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.932 -1.031 . . . . 52.549999999999997 111.082 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -117.74 -40.1 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.310000000000002 110.964 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.6 m -94.61 -24.21 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 65.310000000000002 110.876 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 64.109999999999999 112.495 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.807 0.336 . . . . 71.140000000000001 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.78 -72.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.010000000000005 111.08 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.47 137.49 6.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 73.319999999999993 112.472 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -90.18 142.98 27.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 74.530000000000001 110.923 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.9 m -67.78 152.11 46.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 62.439999999999998 110.884 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -108.14 115.06 29.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 72.420000000000002 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 47.51 41.54 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 73.040000000000006 110.862 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.35 31.66 68.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 73.200000000000003 112.45 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.85 133.71 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 75.340000000000003 110.851 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.4 m -116.91 152.56 34.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 110.871 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -88.66 -175.4 4.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 64.439999999999998 110.817 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.08 22.68 43.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 74.040000000000006 112.521 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.5 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.219999999999999 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.45 177.5 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 72.209999999999994 110.921 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -117.25 150.59 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.87 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -87.47 126.48 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 p -81.98 169.62 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 110.847 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -9.91 55.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.209999999999994 110.874 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -101.27 6.73 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 64.219999999999999 110.938 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 9.16 86.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 65.340000000000003 112.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -104.99 137.6 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 74.239999999999995 110.914 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 m -76.64 154.14 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 71.140000000000001 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.82 -158.46 27.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 75.219999999999999 112.45 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.68 -171.66 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 72.310000000000002 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.96 173.31 42.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 73.019999999999996 112.489 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.06 14.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 74.150000000000006 110.968 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.67 -4.01 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.029 -0.987 . . . . 75.120000000000005 111.118 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.88 -40.17 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.944 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.82 -24.67 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 64.219999999999999 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 35.439999999999998 112.487 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.786 0.327 . . . . 73.329999999999998 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.64 -50.39 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 111.091 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.27 137.62 4.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 53.399999999999999 112.47 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -90.17 142.85 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 74.329999999999998 110.876 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.6 m -67.78 172.1 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.938 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -131.95 107.6 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 110.911 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 47.83 36.9 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.040000000000006 110.873 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.38 29.38 49.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 43.049999999999997 112.523 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -141.55 133.69 27.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 74.319999999999993 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 56.5 m -125.18 155.01 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 71.329999999999998 110.885 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -82.95 176.48 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.140000000000001 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 23.98 40.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 53.240000000000002 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.56 35.16 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 72.450000000000003 112.491 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.08 178.1 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 73.409999999999997 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.9 m -113.44 150.7 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.439999999999998 110.874 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -87.4 126.48 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 64.219999999999999 110.886 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -81.99 169.63 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.400000000000006 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -9.97 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 72.319999999999993 110.912 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -101.24 6.75 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 73.409999999999997 110.949 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.45 9.17 86.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 35.549999999999997 112.532 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -104.97 137.58 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 71.040000000000006 110.964 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.73 154.09 34.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 64.219999999999999 110.922 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.92 -158.33 27.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 42.219999999999999 112.445 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.71 -171.65 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 64.140000000000001 110.835 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.94 173.26 42.38 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 65.420000000000002 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -23.16 14.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 73.140000000000001 110.998 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.03 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 70.420000000000002 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.84 -40.16 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.310000000000002 110.917 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.2 m -94.97 -24.49 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.099999999999994 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 62.340000000000003 112.499 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.781 0.325 . . . . 64.150000000000006 111.089 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.13 -63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 61.140000000000001 111.092 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.95 137.57 4.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.731 . . . . 75.25 112.513 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -90.09 142.15 27.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 74.349999999999994 110.907 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.2 m -67.74 152.17 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 60.119999999999997 110.89 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.16 105.63 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.519999999999996 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 47.5 35.19 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 70.400000000000006 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.63 32.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.711 . . . . 74.019999999999996 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.89 162.35 23.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 65.140000000000001 110.87 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 34.3 m -149.55 171.18 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 63.229999999999997 110.865 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -95.99 160.76 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.230000000000004 110.852 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.91 32.03 40.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 51.409999999999997 112.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.06 32.58 35.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 72.109999999999999 112.524 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -75.03 177.64 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 63.310000000000002 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.0 m -108.3 149.83 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 126.79 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 71.420000000000002 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.13 169.45 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.230000000000004 110.873 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -69.22 -9.9 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.92 5.97 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 72.510000000000005 110.914 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 8.96 86.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 74.340000000000003 112.46 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -105.23 137.48 42.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.935 0.398 . . . . 74.310000000000002 110.916 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.9 m -76.71 155.11 33.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 63.409999999999997 110.842 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.14 -158.21 27.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 72.120000000000005 112.512 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.81 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 74.25 110.821 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 173.38 43.06 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-O 119.16 -0.8 . . . . 62.420000000000002 112.483 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.95 14.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 74.5 111.008 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.55 -4.15 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.006 -0.997 . . . . 71.439999999999998 111.138 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.01 -40.1 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 60.439999999999998 110.955 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.6 m -94.98 -24.58 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 71.329999999999998 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 72.109999999999999 112.462 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.791 0.329 . . . . 74.25 111.095 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.63 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 63.409999999999997 111.125 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.31 137.53 4.41 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 75.329999999999998 112.49 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -90.19 140.66 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 74.439999999999998 110.929 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.722 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -67.7 173.09 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 62.130000000000003 110.892 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -131.95 104.04 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.519999999999996 110.89 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.65 41.29 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.109999999999999 110.834 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.0 59.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 53.299999999999997 112.476 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -139.02 122.04 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 63.549999999999997 110.857 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.722 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 53.7 m -109.43 170.57 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.886 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -96.04 169.9 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 44.210000000000001 110.838 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 56.38 27.33 53.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 34.549999999999997 112.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.29 24.21 36.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 70.219999999999999 112.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.19 177.1 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 75.420000000000002 110.936 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.51 149.04 30.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 110.906 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.99 126.87 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -81.94 169.45 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.019999999999996 110.878 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -69.45 -9.7 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.409999999999997 110.926 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -100.25 3.11 43.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.53 8.3 83.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 62.210000000000001 112.471 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -105.57 137.69 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 63.229999999999997 110.901 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.63 154.54 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.519999999999996 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.14 -158.22 26.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 70.129999999999995 112.472 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.12 -171.74 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.019999999999996 110.882 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.58 173.18 42.92 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.81 . . . . 64.430000000000007 112.475 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.91 14.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 62.409999999999997 111.016 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.61 -4.09 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.022 -0.99 . . . . 53.399999999999999 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.03 -40.16 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.019999999999996 110.946 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.99 -24.37 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 61.450000000000003 110.898 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 53.130000000000003 112.491 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 73.209999999999994 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.55 -70.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 51.43 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.71 137.42 6.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 51.399999999999999 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.28 143.87 26.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 74.109999999999999 110.945 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.0 m -67.73 177.37 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.319999999999993 110.89 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -132.03 95.13 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 64.310000000000002 110.896 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 47.26 35.51 3.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.209999999999994 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.97 18.05 33.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 72.150000000000006 112.486 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -125.82 110.58 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 73.409999999999997 110.86 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 7.1 m -104.11 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 65.219999999999999 110.845 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.709 ' OG ' HD12 ' A' ' 14' ' ' LEU . 2.8 p -68.96 132.31 46.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 62.240000000000002 110.846 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -110.3 0.99 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 62.039999999999999 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 33.77 3.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 65.519999999999996 112.483 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.709 HD12 ' OG ' ' A' ' 11' ' ' SER . 40.1 mt -74.81 176.45 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 73.140000000000001 110.928 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -112.79 149.69 32.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 65.340000000000003 110.913 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.76 127.2 35.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 33.409999999999997 110.889 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.02 169.55 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 55.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -69.37 -9.85 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 73.439999999999998 110.862 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.67 5.51 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.349999999999994 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.01 8.71 86.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 71.420000000000002 112.479 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -105.08 137.18 43.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.962 0.41 . . . . 70.209999999999994 110.931 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 21.3 m -76.63 155.39 33.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 70.129999999999995 110.896 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 -158.14 27.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 31.039999999999999 112.455 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.84 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 62.109999999999999 110.856 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.31 173.43 43.37 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-O 119.146 -0.808 . . . . 74.329999999999998 112.448 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.74 14.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 74.439999999999998 111.028 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.994 -1.003 . . . . 52.119999999999997 111.078 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.27 -39.86 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 75.310000000000002 110.915 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 79.4 m -94.99 -24.46 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 72.310000000000002 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 62.030000000000001 112.473 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 43.25 111.15 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.7 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 42.520000000000003 111.13 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.46 137.52 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 54.32 112.458 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -90.14 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 73.200000000000003 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 21.5 m -67.76 151.78 46.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 53.340000000000003 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -108.29 120.85 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.019999999999996 110.97 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 47.83 34.32 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 70.549999999999997 110.899 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.99 34.74 51.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 71.019999999999996 112.455 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -145.92 145.6 30.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 63.030000000000001 110.878 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.4 m -132.3 136.99 47.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 110.865 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t -76.26 -173.04 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.81 23.6 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 62.509999999999998 112.484 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.55 23.84 36.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 62.32 112.507 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 23' ' ' GLY . 27.3 mt -79.02 178.16 8.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 53.43 110.929 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.21 151.45 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.539999999999999 110.865 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.67 127.03 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.400000000000006 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 p -82.07 169.55 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 54.450000000000003 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -69.25 -9.93 55.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 73.120000000000005 110.916 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.88 6.13 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.18 9.08 86.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 62.100000000000001 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -105.3 137.14 43.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.948 0.404 . . . . 72.549999999999997 110.944 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 m -76.71 154.36 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 73.450000000000003 110.869 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' C ' HD22 ' A' ' 14' ' ' LEU . . . 174.01 -158.06 26.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 55.329999999999998 112.459 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.58 -171.62 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 75.340000000000003 110.886 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 173.31 42.97 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 119.161 -0.799 . . . . 53.100000000000001 112.47 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.83 14.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 23.239999999999998 111.012 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.15 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.004 -0.998 . . . . 51.43 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.02 -39.99 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.889 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -95.11 -24.39 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.853 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 51.409999999999997 112.489 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.798 0.333 . . . . 63.130000000000003 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.74 -55.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 63.539999999999999 111.092 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.37 137.55 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 70.219999999999999 112.493 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -90.09 140.34 29.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 74.25 110.911 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.2 m -67.75 170.94 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.109999999999999 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -131.91 103.12 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.400000000000006 110.94 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.65 34.88 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.875 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.05 22.78 31.71 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 74.040000000000006 112.498 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.92 156.9 35.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.510000000000005 110.838 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 33.7 m -149.5 166.64 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 55.039999999999999 110.86 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 p -89.46 160.66 16.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 52.140000000000001 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.45 30.99 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 45.43 112.5 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.17 31.63 34.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 63.100000000000001 112.463 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.434 HD22 ' C ' ' A' ' 23' ' ' GLY . 32.5 mt -74.94 177.71 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 70.400000000000006 110.94 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -108.89 149.0 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 51.020000000000003 110.872 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -85.45 127.07 34.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 52.25 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.01 169.48 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.219999999999999 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -9.69 54.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.040000000000006 110.886 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -100.14 2.99 43.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.219999999999999 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.67 8.45 82.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.723 -0.751 . . . . 74.239999999999995 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -106.05 137.28 44.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 71.310000000000002 110.908 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.62 154.87 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 75.549999999999997 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' HD22 ' A' ' 14' ' ' LEU . . . 174.12 -157.66 25.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 23.109999999999999 112.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.32 -171.75 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 74.230000000000004 110.849 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 173.19 43.41 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-O 119.146 -0.808 . . . . 62.130000000000003 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.8 14.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 73.319999999999993 111.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 71.329999999999998 111.104 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.05 -40.34 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.010000000000005 110.94 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -94.91 -24.33 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 60.420000000000002 112.485 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.798 0.332 . . . . 70.329999999999998 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.0 -50.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.109999999999999 111.089 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.66 137.54 4.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 52.5 112.492 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.2 141.8 28.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 75.040000000000006 110.962 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 19.8 m -67.81 178.16 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.877 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -131.98 94.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 47.28 35.47 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 75.519999999999996 110.847 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.6 17.56 33.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 42.210000000000001 112.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -124.75 111.33 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 55.119999999999997 110.892 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 9.3 m -104.55 -179.42 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 54.43 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' HB3' HD12 ' A' ' 14' ' ' LEU . 14.1 t -70.73 133.22 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 65.510000000000005 110.877 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.41 -110.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 65.219999999999999 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.31 33.27 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 64.209999999999994 112.476 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD12 ' HB3' ' A' ' 11' ' ' SER . 32.5 mt -74.85 176.34 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 64.109999999999999 110.947 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.4 m -113.97 148.9 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 54.310000000000002 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.66 127.57 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 74.439999999999998 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -82.03 169.32 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.420000000000002 110.871 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -9.77 55.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -99.91 2.97 44.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.16 83.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 63.219999999999999 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -105.62 137.06 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.967 0.413 . . . . 74.299999999999997 110.895 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 25.8 m -76.65 155.79 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.009999999999998 110.889 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.26 -157.65 26.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 72.409999999999997 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.67 -171.56 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 73.530000000000001 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.82 173.42 44.08 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 119.136 -0.813 . . . . 70.430000000000007 112.466 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -22.52 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 65.340000000000003 111.041 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.4 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.99 -1.004 . . . . 64.400000000000006 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.03 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.942 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.92 -24.36 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 72.030000000000001 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 62.240000000000002 112.519 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.33 . . . . 74.209999999999994 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.77 -75.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 64.140000000000001 111.084 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.86 -136.88 3.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 64.430000000000007 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -90.1 169.9 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 75.140000000000001 110.923 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 15.8 m -80.98 170.39 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 70.25 110.89 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -131.89 106.02 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.905 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.75 35.23 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 71.510000000000005 110.936 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.32 27.58 36.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 62.340000000000003 112.45 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.37 122.8 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 73.109999999999999 110.842 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 42.8 m -103.65 166.39 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 65.409999999999997 110.873 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.0 t -96.09 174.08 7.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.849 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.35 21.95 49.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 61.329999999999998 112.462 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.61 20.34 59.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 63.399999999999999 112.506 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.01 176.37 7.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 71.019999999999996 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.2 m -110.34 147.73 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.510000000000005 110.889 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.5 126.04 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -82.04 169.25 16.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.52 -9.62 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 43.210000000000001 110.92 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.41 3.32 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.319999999999993 110.934 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.06 8.75 83.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 63.140000000000001 112.437 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -106.07 138.52 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.946 0.403 . . . . 74.310000000000002 110.915 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.51 154.27 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 51.439999999999998 110.847 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.97 -159.08 28.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 72.409999999999997 112.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -130.81 -171.77 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 74.409999999999997 110.836 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.18 173.14 41.99 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 119.153 -0.804 . . . . 43.509999999999998 112.479 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.18 14.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.506 1.793 . . . . 64.010000000000005 111.017 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.79 -3.83 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 60.539999999999999 111.154 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -117.01 -39.93 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.941 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.9 m -95.03 -24.65 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 51.130000000000003 110.874 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 64.109999999999999 112.526 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.313 . . . . 62.109999999999999 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.1 72.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 44.240000000000002 111.092 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.55 137.4 3.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 52.130000000000003 112.497 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.19 137.65 32.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 71.329999999999998 110.911 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.652 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 48.4 m -67.6 155.71 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 62.340000000000003 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -107.18 119.98 40.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.925 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 47.93 35.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 72.099999999999994 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.85 33.45 55.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 73.209999999999994 112.512 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -154.27 134.95 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 71.510000000000005 110.856 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 86.6 m -100.44 177.77 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 52.140000000000001 110.872 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -64.84 147.96 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 73.510000000000005 110.838 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.85 102.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 71.129999999999995 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.71 -36.09 2.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 74.140000000000001 112.432 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 mt -94.18 174.29 7.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 71.109999999999999 110.92 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.3 m -129.03 148.65 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.219999999999999 110.861 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.16 126.99 34.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 64.400000000000006 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.84 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.48 -9.67 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 71.129999999999995 110.91 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.42 4.42 43.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.95 84.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 73.439999999999998 112.517 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -106.36 137.12 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 72.450000000000003 110.924 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.43 157.46 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 62.450000000000003 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.58 -157.63 28.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 62.030000000000001 112.497 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.92 -171.56 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 43.32 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.36 44.22 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-O 119.111 -0.827 . . . . 52.109999999999999 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.47 14.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 54.450000000000003 110.997 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.45 -4.38 50.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.982 -1.008 . . . . 74.019999999999996 111.054 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.45 -40.12 3.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 110.873 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.97 -24.24 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 61.420000000000002 112.516 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.79 0.328 . . . . 64.329999999999998 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.72 -70.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 61.399999999999999 111.071 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.48 137.55 4.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 63.009999999999998 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -90.14 137.84 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 71.129999999999995 110.925 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.7 m -67.63 155.25 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 41.439999999999998 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -107.46 120.45 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 47.91 34.8 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 65.409999999999997 110.931 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.12 33.77 53.62 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 64.540000000000006 112.505 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -154.23 136.66 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 61.030000000000001 110.891 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 85.2 m -102.36 177.57 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 62.219999999999999 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -64.85 148.14 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 71.310000000000002 110.852 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.88 102.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 70.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.47 -35.91 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 61.119999999999997 112.45 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -94.15 174.4 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 74.510000000000005 110.886 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.0 m -129.71 148.26 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 71.420000000000002 110.902 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.63 127.01 33.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.26 169.61 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.450000000000003 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.46 -9.65 54.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -100.44 4.4 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.23 9.12 84.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 75.140000000000001 112.462 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -106.6 136.99 45.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.971 0.415 . . . . 72.109999999999999 110.909 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.35 157.36 32.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 73.219999999999999 110.908 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.75 -157.52 27.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 74.519999999999996 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.72 -171.63 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 65.239999999999995 110.87 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.35 44.22 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 119.142 -0.81 . . . . 73.439999999999998 112.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.43 14.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 72.319999999999993 111.033 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.48 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.009 -0.996 . . . . 73.519999999999996 111.085 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.22 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 71.019999999999996 110.933 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.0 -24.05 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.349999999999994 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 73.439999999999998 112.502 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.784 0.326 . . . . 72.519999999999996 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 -68.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 44.030000000000001 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.33 137.62 4.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 51.43 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.2 137.53 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 75.340000000000003 110.889 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 43.2 m -67.67 155.52 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.881 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -107.42 119.99 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.878 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 47.84 35.48 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 72.510000000000005 110.891 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.58 55.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 73.230000000000004 112.512 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -154.24 135.2 13.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.373 . . . . 71.420000000000002 110.866 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 84.7 m -100.73 177.65 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 52.450000000000003 110.913 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -64.88 148.09 52.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 75.439999999999998 110.826 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.86 102.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 75.25 112.523 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.63 -36.13 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 53.5 112.514 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.1 174.45 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 73.5 110.956 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.47 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.230000000000004 110.872 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.86 127.26 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 51.520000000000003 110.86 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -82.21 169.51 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.109999999999999 110.871 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -69.57 -9.56 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 73.519999999999996 110.89 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -100.05 2.86 43.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 71.019999999999996 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.95 8.36 82.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 41.509999999999998 112.544 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -106.19 137.19 44.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 45.520000000000003 110.954 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.2 m -76.34 157.64 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.230000000000004 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -157.61 28.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 55.530000000000001 112.494 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -131.72 -171.59 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.962 0.41 . . . . 71.209999999999994 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.56 173.35 44.42 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-O 119.181 -0.788 . . . . 62.329999999999998 112.452 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.4 14.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 61.450000000000003 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.33 -4.47 51.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.007 -0.997 . . . . 52.399999999999999 111.103 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.53 -40.0 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 55.399999999999999 110.915 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.7 m -95.04 -24.24 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 110.872 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 75.140000000000001 112.481 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.776 0.322 . . . . 63.130000000000003 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.98 -75.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 63.539999999999999 111.12 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.88 -135.48 2.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 55.32 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.13 143.18 27.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 64.239999999999995 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.991 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 61.1 m -67.83 157.27 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 42.119999999999997 110.893 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -100.32 119.24 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.925 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 47.94 34.47 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.44 49.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 75.420000000000002 112.47 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.25 135.1 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.365 . . . . 72.400000000000006 110.87 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.991 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 71.9 m -103.89 -173.3 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.439999999999998 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 m -143.52 -172.35 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 64.439999999999998 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.43 20.61 55.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.030000000000001 112.499 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.15 19.13 79.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 64.209999999999994 112.489 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.99 174.29 8.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.339 . . . . 64.049999999999997 110.939 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.92 145.56 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 42.32 110.904 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.87 126.73 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.140000000000001 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -82.11 169.63 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.049999999999997 110.835 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -69.52 -9.6 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.099999999999994 110.907 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.02 2.78 43.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 65.319999999999993 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.12 81.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 42.340000000000003 112.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -107.23 136.54 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 64.409999999999997 110.924 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.522 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.1 m -76.7 156.05 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 74.019999999999996 110.869 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.49 -157.06 25.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 52.520000000000003 112.501 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.2 -171.75 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 73.230000000000004 110.897 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.49 173.32 44.52 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 119.101 -0.833 . . . . 44.200000000000003 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.29 14.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.82 . . . . 72.340000000000003 110.993 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.34 -4.6 51.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.025 -0.988 . . . . 70.409999999999997 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.42 -40.1 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 65.109999999999999 110.939 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.83 -24.21 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 73.230000000000004 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 65.200000000000003 112.503 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.771 0.319 . . . . 74.129999999999995 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.97 -76.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 74.219999999999999 111.12 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.03 -135.58 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 73.400000000000006 112.502 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -90.14 146.81 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 61.439999999999998 110.907 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.076 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 63.7 m -67.93 157.7 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 44.030000000000001 110.878 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -99.6 119.69 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.916 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 47.9 34.21 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 71.409999999999997 110.847 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.37 33.57 48.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 53.009999999999998 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.18 135.8 14.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 75.150000000000006 110.923 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.076 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 72.6 m -105.53 -173.1 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.87 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m -143.45 -172.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.030000000000001 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.89 19.64 50.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 70.230000000000004 112.484 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.61 21.29 79.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 70.109999999999999 112.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 mt -88.09 174.77 8.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.376 . . . . 75.140000000000001 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -123.57 145.28 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.120000000000005 110.907 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.77 126.54 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.17 169.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.88 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -69.48 -9.69 54.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 72.430000000000007 110.898 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.14 2.89 43.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.150000000000006 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.86 8.59 82.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 62.310000000000002 112.463 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -106.43 136.7 45.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 70.049999999999997 110.948 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.7 m -76.69 155.94 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 64.010000000000005 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.52 -157.37 25.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 60.5 112.52 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.09 -171.71 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 71.349999999999994 110.811 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.35 44.39 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 74.219999999999999 112.526 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -22.51 14.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 63.149999999999999 111.033 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.32 -4.45 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.007 -0.997 . . . . 62.409999999999997 111.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.47 -40.11 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.909 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -94.7 -24.38 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 50.229999999999997 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.708 -0.758 . . . . 71.310000000000002 112.455 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.791 0.329 . . . . 72.239999999999995 111.103 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.02 -75.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 44.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.2 -135.9 2.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 70.209999999999994 112.463 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -90.27 146.65 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 63.329999999999998 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 31.0 m -67.76 153.64 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.019999999999996 110.901 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -108.09 120.25 41.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.299999999999997 110.932 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 47.5 35.14 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 75.340000000000003 110.894 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.37 35.93 59.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 73.439999999999998 112.495 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -151.76 132.92 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 75.340000000000003 110.873 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 81.5 m -104.04 -175.99 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.109999999999999 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -64.85 156.66 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 110.863 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.09 94.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 33.25 112.474 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.32 -23.47 4.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 74.239999999999995 112.492 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 mt -94.16 174.17 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.355 . . . . 61.539999999999999 110.933 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -132.99 147.6 52.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.329999999999998 110.907 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.3 t -82.58 125.59 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.450000000000003 110.863 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.18 169.68 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 64.030000000000001 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -69.47 -9.69 54.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.010000000000005 110.896 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -100.59 4.88 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 73.219999999999999 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.42 9.58 84.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 73.329999999999998 112.521 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.03 137.25 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 75.219999999999999 110.921 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.9 m -76.43 156.49 33.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 73.200000000000003 110.858 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.51 -157.63 27.3 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.775 -0.726 . . . . 60.229999999999997 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -131.54 -171.68 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 74.040000000000006 110.883 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 173.31 43.88 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-O 119.086 -0.841 . . . . 70.439999999999998 112.534 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 74.230000000000004 110.974 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.28 50.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.989 -1.005 . . . . 75.140000000000001 111.107 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -117.36 -40.23 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 110.902 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.6 m -94.92 -24.29 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 64.329999999999998 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 63.219999999999999 112.51 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.807 0.337 . . . . 61.420000000000002 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.04 -76.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 53.409999999999997 111.092 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.67 -134.35 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 65.109999999999999 112.478 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.2 144.71 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 72.209999999999994 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 36.4 m -67.74 154.88 40.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.861 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.34 118.14 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 73.439999999999998 110.882 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 47.84 35.07 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 51.409999999999997 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.02 33.14 51.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 63.219999999999999 112.524 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.16 135.04 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 72.299999999999997 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 83.9 m -101.22 177.22 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 60.32 110.883 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 t -64.86 147.61 52.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.77 102.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 64.530000000000001 112.521 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.15 -35.99 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 71.439999999999998 112.472 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.8 mt -94.15 174.54 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 72.430000000000007 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -128.77 149.35 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.150000000000006 110.932 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -85.63 126.56 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 70.129999999999995 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -82.2 169.42 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 64.299999999999997 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -69.41 -9.71 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 73.219999999999999 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.57 5.07 43.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.26 9.26 85.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 62.329999999999998 112.496 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -106.32 137.47 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 71.219999999999999 110.943 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.2 m -76.41 157.14 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 54.32 110.903 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.62 -157.83 28.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 72.310000000000002 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -132.05 -171.51 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 75.439999999999998 110.881 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.03 173.34 43.79 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-O 119.137 -0.813 . . . . 23.039999999999999 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -22.72 14.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 61.310000000000002 111.017 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.36 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.0 -1.0 . . . . 74.439999999999998 111.107 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.24 -40.16 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.931 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.3 m -94.96 -24.4 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 73.219999999999999 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 73.150000000000006 112.488 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.798 0.332 . . . . 74.319999999999993 111.066 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.19 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.519999999999996 111.076 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.1 -131.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 73.25 112.49 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -90.09 148.34 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 75.019999999999996 110.924 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 55.7 m -67.93 156.29 37.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 65.409999999999997 110.937 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -107.81 116.66 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.913 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 47.68 40.56 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.120000000000005 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.8 31.99 67.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.310000000000002 112.483 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -144.3 135.61 25.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 72.129999999999995 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 57.6 m -101.44 -176.0 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 64.099999999999994 110.898 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -92.98 152.53 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.861 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.9 -113.67 2.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 72.409999999999997 112.462 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.69 30.11 4.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 62.439999999999998 112.468 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.86 175.68 7.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 73.019999999999996 110.912 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.9 m -123.36 149.99 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 70.120000000000005 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.73 128.11 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 71.219999999999999 110.863 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.29 169.19 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.549999999999997 110.896 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -9.69 54.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.439999999999998 110.936 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.07 4.12 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.129999999999995 110.912 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.77 85.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 50.329999999999998 112.439 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -105.02 137.09 43.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 74.239999999999995 110.928 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 76.1 m -76.21 159.97 30.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 71.420000000000002 110.852 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.0 -157.46 29.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 51.020000000000003 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -133.03 -171.16 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 72.040000000000006 110.902 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.12 173.73 45.06 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 63.119999999999997 112.478 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.22 15.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 64.340000000000003 110.995 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.19 -4.72 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.984 . . . . 75.129999999999995 111.089 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.66 -39.79 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.340000000000003 110.893 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.9 m -94.74 -24.43 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 72.109999999999999 110.846 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 64.239999999999995 112.479 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.811 0.339 . . . . 73.409999999999997 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.39 -44.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.5 111.12 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.41 137.59 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 72.109999999999999 112.466 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -90.18 138.35 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 75.209999999999994 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 64.1 m -67.84 -176.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 73.329999999999998 110.851 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.59 116.59 17.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.925 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 48.04 33.31 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 73.299999999999997 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.42 33.08 40.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 32.100000000000001 112.491 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -154.16 135.14 13.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 60.530000000000001 110.909 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 73.6 m -102.97 -172.13 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 51.420000000000002 110.874 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -143.03 -173.05 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 61.130000000000003 110.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.17 17.85 46.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 53.130000000000003 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.58 22.0 73.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 63.409999999999997 112.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -93.0 174.64 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 64.010000000000005 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.1 m -122.45 142.99 49.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.06 127.08 32.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.877 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.83 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 55.399999999999999 110.837 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -69.44 -9.75 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 70.049999999999997 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.89 3.15 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 71.040000000000006 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.77 9.07 81.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 72.019999999999996 112.493 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 60.439999999999998 110.916 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 61.8 m -76.46 158.05 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 72.219999999999999 110.932 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.33 -156.49 25.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 74.450000000000003 112.429 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.68 -171.55 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.340000000000003 110.874 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.13 173.63 46.38 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 74.329999999999998 112.562 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.08 15.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 73.409999999999997 110.971 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.73 -5.05 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.021 -0.99 . . . . 61.420000000000002 111.097 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -117.98 -39.87 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.319999999999993 110.945 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -93.93 -24.49 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 63.109999999999999 110.865 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.712 . . . . 73.450000000000003 112.478 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.69 ' H3 ' HD13 ' A' ' 14' ' ' LEU . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.34 . . . . 73.030000000000001 111.098 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.98 -63.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 71.299999999999997 111.091 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.28 -134.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 62.509999999999998 112.515 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.41 146.86 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 73.099999999999994 110.938 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 55.7 m -67.98 -179.78 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 64.450000000000003 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -131.62 117.32 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 71.25 110.931 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.87 33.02 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 71.200000000000003 110.878 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.59 45.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 54.109999999999999 112.499 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -150.91 134.82 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 64.299999999999997 110.865 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.2 m -107.21 -175.42 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.129999999999995 110.875 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -64.44 155.48 32.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 64.040000000000006 110.84 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.91 95.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.788 -0.72 . . . . 55.240000000000002 112.44 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.33 -25.79 3.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 60.100000000000001 112.497 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.69 HD13 ' H3 ' ' A' ' 1' ' ' ALA . 53.5 mt -94.54 173.33 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 52.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -131.17 148.99 52.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 72.340000000000003 110.868 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.77 126.3 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 73.120000000000005 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.19 169.43 16.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.846 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.61 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.129999999999995 110.863 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -100.14 4.02 44.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 63.340000000000003 110.934 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.41 9.63 83.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 71.329999999999998 112.463 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -107.68 137.57 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 74.109999999999999 110.936 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.44 ' C ' ' H2 ' ' A' ' 1' ' ' ALA . 60.8 m -76.31 157.7 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 72.439999999999998 110.865 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.7 -157.86 28.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 44.25 112.484 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 t -131.75 -171.7 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 55.310000000000002 110.85 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 173.33 44.26 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.111 -0.827 . . . . 45.43 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.46 14.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 72.230000000000004 110.998 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.4 50.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.019 -0.991 . . . . 43.450000000000003 111.137 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.49 -40.12 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.25 110.966 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.0 -24.23 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.129999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 71.430000000000007 112.477 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.867 0.365 . . . . 75.439999999999998 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.97 -25.49 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 73.140000000000001 111.132 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.21 -133.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 65.25 112.466 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -70.88 144.05 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 73.439999999999998 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 38.2 m -67.81 178.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 64.109999999999999 110.889 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.68 116.41 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.329999999999998 110.925 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 47.76 33.84 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 74.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.28 35.26 48.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 75.219999999999999 112.463 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -145.27 134.99 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 75.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.8 m -112.04 -175.13 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.540000000000006 110.894 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.469 ' HB3' HD12 ' A' ' 14' ' ' LEU . 1.9 t -64.36 158.41 23.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 110.88 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.46 93.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 62.049999999999997 112.477 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.92 -19.7 5.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 62.439999999999998 112.507 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 11' ' ' SER . 50.7 mt -94.26 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 72.549999999999997 110.91 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -134.81 144.88 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 53.539999999999999 110.902 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.37 126.49 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.89 15.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 74.349999999999994 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -69.5 -9.64 54.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 54.140000000000001 110.918 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -99.98 3.23 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.409999999999997 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.47 9.99 80.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 53.439999999999998 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -108.56 135.78 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.975 0.416 . . . . 72.230000000000004 110.947 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 59.2 m -76.55 157.04 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 52.240000000000002 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.21 -156.41 24.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 63.439999999999998 112.453 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.16 -171.78 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.365 . . . . 74.239999999999995 110.855 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.37 45.61 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.156 -0.802 . . . . 61.32 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.05 15.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.789 . . . . 64.439999999999998 111.003 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -4.83 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.932 -1.031 . . . . 52.549999999999997 111.082 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -117.74 -40.1 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.310000000000002 110.964 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.6 m -94.61 -24.21 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 65.310000000000002 110.876 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 64.109999999999999 112.495 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.339 . . . . 74.53 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.9 m -67.78 152.11 46.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 62.44 110.884 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.911 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.855 0.36 . . . . 72.21 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -117.25 150.59 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.87 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -87.47 126.48 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 p -81.98 169.62 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.847 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -9.91 55.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.21 110.874 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -101.27 6.73 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 64.22 110.938 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 9.16 86.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 65.34 112.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -104.99 137.6 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 74.24 110.914 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 m -76.64 154.14 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.82 -158.46 27.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 75.22 112.45 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.68 -171.66 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 72.31 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.96 173.31 42.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 73.02 112.489 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.06 14.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 74.15 110.968 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.67 -4.01 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.029 -0.987 . . . . 75.12 111.118 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.88 -40.17 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.944 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.82 -24.67 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 64.22 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 35.44 112.487 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 74.33 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.6 m -67.78 172.1 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.938 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.6 t80 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.911 -179.863 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.857 0.36 . . . . 73.41 110.954 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.9 m -113.44 150.7 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.44 110.874 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -87.4 126.48 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.886 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -81.99 169.63 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -9.97 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 72.32 110.912 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -101.24 6.75 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.949 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.45 9.17 86.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 35.55 112.532 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -104.97 137.58 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 71.04 110.964 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.73 154.09 34.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 64.22 110.922 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.92 -158.33 27.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 42.22 112.445 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.71 -171.65 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 64.14 110.835 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.94 173.26 42.38 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 65.42 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -23.16 14.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 73.14 110.998 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.03 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 70.42 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.84 -40.16 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.917 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.2 m -94.97 -24.49 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.1 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 62.34 112.499 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.87 0.367 . . . . 74.35 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.2 m -67.74 152.17 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 60.12 110.89 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.935 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.856 0.36 . . . . 63.31 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.0 m -108.3 149.83 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 126.79 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.13 169.45 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -69.22 -9.9 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.92 5.97 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.914 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 8.96 86.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 74.34 112.46 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -105.23 137.48 42.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.935 0.398 . . . . 74.31 110.916 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.9 m -76.71 155.11 33.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 63.41 110.842 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.14 -158.21 27.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 72.12 112.512 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.81 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 74.25 110.821 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 173.38 43.06 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-O 119.16 -0.8 . . . . 62.42 112.483 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.95 14.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 74.5 111.008 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.55 -4.15 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.006 -0.997 . . . . 71.44 111.138 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.01 -40.1 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 60.44 110.955 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.6 m -94.98 -24.58 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 71.33 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 72.11 112.462 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.815 0.34 . . . . 74.44 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.7 173.09 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.892 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.89 -179.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.826 0.346 . . . . 75.42 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.51 149.04 30.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 64.32 110.906 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.99 126.87 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -81.94 169.45 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.02 110.878 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -69.45 -9.7 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.926 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -100.25 3.11 43.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.53 8.3 83.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 62.21 112.471 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -105.57 137.69 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 63.23 110.901 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.63 154.54 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.52 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.14 -158.22 26.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 70.13 112.472 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.12 -171.74 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.02 110.882 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.58 173.18 42.92 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.81 . . . . 64.43 112.475 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.91 14.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 62.41 111.016 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.61 -4.09 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.022 -0.99 . . . . 53.4 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.03 -40.16 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.946 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.99 -24.37 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 61.45 110.898 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 53.13 112.491 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.854 0.359 . . . . 74.11 110.945 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 m -67.73 177.37 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.89 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 64.31 110.896 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.835 0.35 . . . . 73.14 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -112.79 149.69 32.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 65.34 110.913 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.76 127.2 35.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 33.41 110.889 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.02 169.55 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 55.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -69.37 -9.85 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.862 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.67 5.51 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.01 8.71 86.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 71.42 112.479 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -105.08 137.18 43.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.962 0.41 . . . . 70.21 110.931 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 m -76.63 155.39 33.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 70.13 110.896 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 -158.14 27.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 31.04 112.455 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.84 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 62.11 110.856 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.31 173.43 43.37 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-O 119.146 -0.808 . . . . 74.33 112.448 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.74 14.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 74.44 111.028 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.994 -1.003 . . . . 52.12 111.078 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.27 -39.86 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 75.31 110.915 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 79.4 m -94.99 -24.46 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 62.03 112.473 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.853 0.359 . . . . 73.2 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.5 m -67.76 151.78 46.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 53.34 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.3 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.02 110.97 -179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 23' ' ' GLY . 27.3 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.845 0.355 . . . . 53.43 110.929 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.21 151.45 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.54 110.865 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.67 127.03 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 p -82.07 169.55 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 54.45 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -69.25 -9.93 55.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 73.12 110.916 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.88 6.13 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.18 9.08 86.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 62.1 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -105.3 137.14 43.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.948 0.404 . . . . 72.55 110.944 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 m -76.71 154.36 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 73.45 110.869 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' C ' HD22 ' A' ' 14' ' ' LEU . . . 174.01 -158.06 26.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 55.33 112.459 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.58 -171.62 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 75.34 110.886 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 173.31 42.97 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 119.161 -0.799 . . . . 53.1 112.47 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.83 14.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 23.24 111.012 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.15 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.004 -0.998 . . . . 51.43 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.02 -39.99 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.889 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -95.11 -24.39 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.853 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 51.41 112.489 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 74.25 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.2 m -67.75 170.94 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.94 -179.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.434 HD22 ' C ' ' A' ' 23' ' ' GLY . 32.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.862 0.363 . . . . 70.4 110.94 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -108.89 149.0 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 51.02 110.872 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -85.45 127.07 34.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 52.25 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.01 169.48 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -9.69 54.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.04 110.886 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -100.14 2.99 43.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.67 8.45 82.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -106.05 137.28 44.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 71.31 110.908 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.62 154.87 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 75.55 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' HD22 ' A' ' 14' ' ' LEU . . . 174.12 -157.66 25.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 23.11 112.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.32 -171.75 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 74.23 110.849 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 173.19 43.41 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-O 119.146 -0.808 . . . . 62.13 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.8 14.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 73.32 111.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 71.33 111.104 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.05 -40.34 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.94 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -94.91 -24.33 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 60.42 112.485 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 75.04 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.8 m -67.81 178.16 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.877 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.95 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.342 . . . . 64.11 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.4 m -113.97 148.9 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 54.31 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.66 127.57 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -82.03 169.32 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.871 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -9.77 55.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -99.91 2.97 44.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.1 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.16 83.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 63.22 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -105.62 137.06 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.967 0.413 . . . . 74.3 110.895 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 25.8 m -76.65 155.79 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.01 110.889 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.26 -157.65 26.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 72.41 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.67 -171.56 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 73.53 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.82 173.42 44.08 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 119.136 -0.813 . . . . 70.43 112.466 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -22.52 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 65.34 111.041 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.4 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.99 -1.004 . . . . 64.4 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.03 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.942 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.92 -24.36 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 72.03 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 62.24 112.519 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.891 0.377 . . . . 75.14 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 m -80.98 170.39 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 70.25 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.905 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 71.02 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.2 m -110.34 147.73 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.889 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.5 126.04 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -82.04 169.25 16.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.34 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.52 -9.62 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 43.21 110.92 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.41 3.32 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.934 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.06 8.75 83.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 63.14 112.437 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -106.07 138.52 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.946 0.403 . . . . 74.31 110.915 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.51 154.27 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 51.44 110.847 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.97 -159.08 28.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 72.41 112.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -130.81 -171.77 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 74.41 110.836 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.18 173.14 41.99 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 119.153 -0.804 . . . . 43.51 112.479 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.18 14.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.506 1.793 . . . . 64.01 111.017 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.79 -3.83 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 60.54 111.154 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -117.01 -39.93 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.941 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.9 m -95.03 -24.65 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 51.13 110.874 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 64.11 112.526 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 71.33 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.4 m -67.6 155.71 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.925 -179.876 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.831 0.348 . . . . 71.11 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.3 m -129.03 148.65 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.22 110.861 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.16 126.99 34.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 64.4 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.84 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.48 -9.67 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 71.13 110.91 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.42 4.42 43.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.95 84.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 73.44 112.517 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -106.36 137.12 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 72.45 110.924 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.43 157.46 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 62.45 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.58 -157.63 28.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 62.03 112.497 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.92 -171.56 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 43.32 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.36 44.22 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-O 119.111 -0.827 . . . . 52.11 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.47 14.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 54.45 110.997 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.45 -4.38 50.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.982 -1.008 . . . . 74.02 111.054 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.45 -40.12 3.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.873 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.97 -24.24 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 61.42 112.516 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.84 0.352 . . . . 71.13 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.7 m -67.63 155.25 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 41.44 110.874 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.965 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.887 0.375 . . . . 74.51 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.0 m -129.71 148.26 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.902 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.63 127.01 33.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.26 169.61 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.46 -9.65 54.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -100.44 4.4 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.23 9.12 84.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 75.14 112.462 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -106.6 136.99 45.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.971 0.415 . . . . 72.11 110.909 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.35 157.36 32.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.908 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.75 -157.52 27.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 74.52 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.72 -171.63 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 65.24 110.87 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.35 44.22 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 119.142 -0.81 . . . . 73.44 112.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.43 14.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 72.32 111.033 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.48 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.009 -0.996 . . . . 73.52 111.085 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.22 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.933 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.0 -24.05 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.35 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 73.44 112.502 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 75.34 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.2 m -67.67 155.52 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.881 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.878 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.34 . . . . 73.5 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.47 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.872 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.86 127.26 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 51.52 110.86 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -82.21 169.51 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.11 110.871 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -69.57 -9.56 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.89 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -100.05 2.86 43.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 71.02 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.95 8.36 82.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 41.51 112.544 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -106.19 137.19 44.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 45.52 110.954 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.2 m -76.34 157.64 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -157.61 28.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 55.53 112.494 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -131.72 -171.59 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.962 0.41 . . . . 71.21 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.56 173.35 44.42 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-O 119.181 -0.788 . . . . 62.33 112.452 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.4 14.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 61.45 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.33 -4.47 51.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.007 -0.997 . . . . 52.4 111.103 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.53 -40.0 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 55.4 110.915 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.7 m -95.04 -24.24 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.872 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 75.14 112.481 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 64.24 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.1 m -67.83 157.27 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 42.12 110.893 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.925 -179.869 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.813 0.339 . . . . 64.05 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.92 145.56 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 42.32 110.904 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.87 126.73 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -82.11 169.63 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.05 110.835 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -69.52 -9.6 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.1 110.907 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.02 2.78 43.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 65.32 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.12 81.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 42.34 112.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -107.23 136.54 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 64.41 110.924 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 m -76.7 156.05 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.869 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.49 -157.06 25.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 52.52 112.501 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.2 -171.75 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 73.23 110.897 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.49 173.32 44.52 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 119.101 -0.833 . . . . 44.2 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.29 14.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.82 . . . . 72.34 110.993 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.34 -4.6 51.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.025 -0.988 . . . . 70.41 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.42 -40.1 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.939 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.83 -24.21 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 65.2 112.503 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 61.44 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 63.7 m -67.93 157.7 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 44.03 110.878 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.916 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.376 . . . . 75.14 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -123.57 145.28 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.907 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.77 126.54 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.17 169.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.88 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -69.48 -9.69 54.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.898 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.14 2.89 43.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.15 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.86 8.59 82.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 62.31 112.463 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -106.43 136.7 45.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 70.05 110.948 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.7 m -76.69 155.94 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 64.01 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.52 -157.37 25.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 60.5 112.52 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.09 -171.71 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 71.35 110.811 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.35 44.39 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 74.22 112.526 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -22.51 14.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 63.15 111.033 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.32 -4.45 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.007 -0.997 . . . . 62.41 111.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.47 -40.11 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.909 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -94.7 -24.38 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 50.23 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.708 -0.758 . . . . 71.31 112.455 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.864 0.364 . . . . 63.33 110.88 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.0 m -67.76 153.64 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.901 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.932 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 mt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.844 0.355 . . . . 61.54 110.933 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -132.99 147.6 52.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.907 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.3 t -82.58 125.59 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.863 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.18 169.68 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 64.03 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -69.47 -9.69 54.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.01 110.896 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -100.59 4.88 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 73.22 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.42 9.58 84.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.521 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.03 137.25 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 75.22 110.921 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.9 m -76.43 156.49 33.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.858 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.51 -157.63 27.3 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.775 -0.726 . . . . 60.23 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -131.54 -171.68 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 74.04 110.883 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 173.31 43.88 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-O 119.086 -0.841 . . . . 70.44 112.534 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 74.23 110.974 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.28 50.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.989 -1.005 . . . . 75.14 111.107 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -117.36 -40.23 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.902 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.6 m -94.92 -24.29 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 64.33 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 63.22 112.51 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.854 0.359 . . . . 72.21 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.74 154.88 40.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.861 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.882 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.882 0.372 . . . . 72.43 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -128.77 149.35 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.932 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -85.63 126.56 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 70.13 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -82.2 169.42 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 64.3 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -69.41 -9.71 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.57 5.07 43.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.26 9.26 85.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 62.33 112.496 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -106.32 137.47 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 71.22 110.943 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.2 m -76.41 157.14 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 54.32 110.903 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.62 -157.83 28.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 72.31 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -132.05 -171.51 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 75.44 110.881 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.03 173.34 43.79 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-O 119.137 -0.813 . . . . 23.04 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -22.72 14.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 61.31 111.017 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.36 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.0 -1.0 . . . . 74.44 111.107 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.24 -40.16 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.931 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.3 m -94.96 -24.4 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 73.15 112.488 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 75.02 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 55.7 m -67.93 156.29 37.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 65.41 110.937 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.54 110.913 -179.871 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 73.02 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.9 m -123.36 149.99 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 70.12 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.73 128.11 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.863 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.29 169.19 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.55 110.896 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -9.69 54.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.936 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.07 4.12 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.912 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.77 85.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 50.33 112.439 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -105.02 137.09 43.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 74.24 110.928 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 76.1 m -76.21 159.97 30.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 71.42 110.852 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.0 -157.46 29.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 51.02 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -133.03 -171.16 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 72.04 110.902 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.12 173.73 45.06 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 63.12 112.478 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.22 15.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 64.34 110.995 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.19 -4.72 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.984 . . . . 75.13 111.089 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.66 -39.79 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.893 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.9 m -94.74 -24.43 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 72.11 110.846 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 64.24 112.479 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.351 . . . . 75.21 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 64.1 m -67.84 -176.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.851 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.925 -179.873 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.891 0.377 . . . . 64.01 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.1 m -122.45 142.99 49.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.06 127.08 32.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.877 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.83 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 55.4 110.837 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -69.44 -9.75 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 70.05 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.89 3.15 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 71.04 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.77 9.07 81.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 72.02 112.493 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 60.44 110.916 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 61.8 m -76.46 158.05 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 72.22 110.932 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.33 -156.49 25.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 74.45 112.429 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.68 -171.55 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.34 110.874 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.13 173.63 46.38 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 74.33 112.562 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.08 15.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 73.41 110.971 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.73 -5.05 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.021 -0.99 . . . . 61.42 111.097 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -117.98 -39.87 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.945 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -93.93 -24.49 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 63.11 110.865 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.712 . . . . 73.45 112.478 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.792 0.33 . . . . 73.1 110.938 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 55.7 m -67.98 -179.78 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 64.45 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.8 t80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 71.25 110.931 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 52.0 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -131.17 148.99 52.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.868 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.77 126.3 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.19 169.43 16.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.846 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.61 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.863 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -100.14 4.02 44.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 63.34 110.934 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.41 9.63 83.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 71.33 112.463 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -107.68 137.57 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 74.11 110.936 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -76.31 157.7 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 72.44 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.7 -157.86 28.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 44.25 112.484 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 t -131.75 -171.7 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 55.31 110.85 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 173.33 44.26 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.111 -0.827 . . . . 45.43 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.46 14.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 72.23 110.998 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.4 50.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.019 -0.991 . . . . 43.45 111.137 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.49 -40.12 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.25 110.966 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.0 -24.23 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 71.43 112.477 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.827 0.346 . . . . 73.44 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 38.2 m -67.81 178.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 64.11 110.889 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.925 -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.84 0.352 . . . . 72.55 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -134.81 144.88 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 53.54 110.902 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.37 126.49 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.89 15.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 74.35 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -69.5 -9.64 54.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 54.14 110.918 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -99.98 3.23 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.41 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.47 9.99 80.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 53.44 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -108.56 135.78 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.975 0.416 . . . . 72.23 110.947 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 59.2 m -76.55 157.04 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 52.24 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.21 -156.41 24.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 63.44 112.453 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.16 -171.78 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.365 . . . . 74.24 110.855 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.37 45.61 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.156 -0.802 . . . . 61.32 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.05 15.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.789 . . . . 64.44 111.003 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -4.83 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.932 -1.031 . . . . 52.55 111.082 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -117.74 -40.1 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.31 110.964 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.6 m -94.61 -24.21 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 65.31 110.876 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 64.11 112.495 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.807 0.336 . . . . 71.14 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.78 -72.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.08 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.47 137.49 6.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 73.32 112.472 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -90.18 142.98 27.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.339 . . . . 74.53 110.923 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.9 m -67.78 152.11 46.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 62.44 110.884 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -108.14 115.06 29.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 47.51 41.54 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 73.04 110.862 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.35 31.66 68.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 73.2 112.45 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.85 133.71 18.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.371 . . . . 75.34 110.851 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.4 m -116.91 152.56 34.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.871 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -88.66 -175.4 4.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.817 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.08 22.68 43.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 74.04 112.521 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.5 47.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 71.22 112.467 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 mt -75.45 177.5 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 72.21 110.921 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -117.25 150.59 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.87 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 t -87.47 126.48 34.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.5 p -81.98 169.62 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.847 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -9.91 55.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.21 110.874 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -101.27 6.73 43.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 64.22 110.938 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.51 9.16 86.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 65.34 112.485 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -104.99 137.6 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 74.24 110.914 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 m -76.64 154.14 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.902 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.82 -158.46 27.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 75.22 112.45 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.68 -171.66 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 72.31 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.96 173.31 42.36 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 73.02 112.489 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.06 14.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 74.15 110.968 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.67 -4.01 49.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.029 -0.987 . . . . 75.12 111.118 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.88 -40.17 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.944 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.82 -24.67 16.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 64.22 110.909 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 35.44 112.487 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.786 0.327 . . . . 73.33 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.64 -50.39 13.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.52 111.091 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.27 137.62 4.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 53.4 112.47 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -90.17 142.85 27.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 74.33 110.876 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.6 m -67.78 172.1 5.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.938 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -131.95 107.6 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.911 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 47.83 36.9 6.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 64.04 110.873 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.38 29.38 49.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 43.05 112.523 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -141.55 133.69 27.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 74.32 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 56.5 m -125.18 155.01 40.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.885 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -82.95 176.48 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 23.98 40.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 53.24 112.486 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.56 35.16 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 72.45 112.491 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.5 mt -75.08 178.1 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.857 0.36 . . . . 73.41 110.954 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.9 m -113.44 150.7 32.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.44 110.874 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.8 t -87.4 126.48 34.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.886 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -81.99 169.63 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -9.97 55.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 72.32 110.912 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -101.24 6.75 43.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.949 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.45 9.17 86.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 35.55 112.532 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -104.97 137.58 42.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 71.04 110.964 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.73 154.09 34.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 64.22 110.922 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.92 -158.33 27.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 42.22 112.445 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.71 -171.65 2.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 64.14 110.835 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.94 173.26 42.38 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-O 119.151 -0.805 . . . . 65.42 112.491 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -23.16 14.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 73.14 110.998 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.03 49.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.994 -1.003 . . . . 70.42 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -116.84 -40.16 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.917 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.2 m -94.97 -24.49 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.1 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.698 -0.763 . . . . 62.34 112.499 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.781 0.325 . . . . 64.15 111.089 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.13 -63.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 61.14 111.092 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.95 137.57 4.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.731 . . . . 75.25 112.513 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -90.09 142.15 27.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 74.35 110.907 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.2 m -67.74 152.17 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 60.12 110.89 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -108.16 105.63 15.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.935 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 47.5 35.19 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 70.4 110.845 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.11 22.63 32.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.711 . . . . 74.02 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -123.89 162.35 23.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 65.14 110.87 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 34.3 m -149.55 171.18 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.865 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 m -95.99 160.76 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.852 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.91 32.03 40.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 51.41 112.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.06 32.58 35.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 72.11 112.524 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -75.03 177.64 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 63.31 110.918 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.0 m -108.3 149.83 28.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 126.79 35.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.887 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.13 169.45 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -69.22 -9.9 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.92 5.97 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.914 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.36 8.96 86.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 74.34 112.46 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -105.23 137.48 42.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.935 0.398 . . . . 74.31 110.916 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.9 m -76.71 155.11 33.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 63.41 110.842 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.14 -158.21 27.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 72.12 112.512 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.81 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 74.25 110.821 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 173.38 43.06 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-O 119.16 -0.8 . . . . 62.42 112.483 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -22.95 14.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 74.5 111.008 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.55 -4.15 50.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.006 -0.997 . . . . 71.44 111.138 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.01 -40.1 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 60.44 110.955 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.6 m -94.98 -24.58 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 71.33 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 72.11 112.462 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.791 0.329 . . . . 74.25 111.095 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.63 -40.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 63.41 111.125 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.31 137.53 4.41 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 75.33 112.49 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -90.19 140.66 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 74.44 110.929 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.722 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -67.7 173.09 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.892 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -131.95 104.04 6.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.89 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.65 41.29 13.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.834 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.0 59.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.727 -0.749 . . . . 53.3 112.476 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -139.02 122.04 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 63.55 110.857 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.722 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 53.7 m -109.43 170.57 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.886 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -96.04 169.9 9.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 44.21 110.838 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 56.38 27.33 53.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 34.55 112.482 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.29 24.21 36.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 70.22 112.458 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.19 177.1 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 75.42 110.936 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.4 m -110.51 149.04 30.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 64.32 110.906 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.99 126.87 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -81.94 169.45 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.02 110.878 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -69.45 -9.7 54.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.41 110.926 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -100.25 3.11 43.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.929 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.53 8.3 83.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 62.21 112.471 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -105.57 137.69 42.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 63.23 110.901 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.63 154.54 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 71.52 110.849 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.14 -158.22 26.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.696 -0.764 . . . . 70.13 112.472 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.12 -171.74 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 74.02 110.882 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.58 173.18 42.92 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-O 119.143 -0.81 . . . . 64.43 112.475 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -22.91 14.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 62.41 111.016 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.61 -4.09 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.022 -0.99 . . . . 53.4 111.115 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -117.03 -40.16 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.946 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.99 -24.37 16.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 61.45 110.898 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 53.13 112.491 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 73.21 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.55 -70.07 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 51.43 111.081 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.71 137.42 6.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 51.4 112.493 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -90.28 143.87 26.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 74.11 110.945 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.0 m -67.73 177.37 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.89 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -132.03 95.13 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 64.31 110.896 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 47.26 35.51 3.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 71.21 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.97 18.05 33.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 72.15 112.486 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -125.82 110.58 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 73.41 110.86 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 7.1 m -104.11 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.845 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.709 ' OG ' HD12 ' A' ' 14' ' ' LEU . 2.8 p -68.96 132.31 46.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 62.24 110.846 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.33 -110.3 0.99 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 62.04 112.499 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 33.77 3.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 65.52 112.483 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.709 HD12 ' OG ' ' A' ' 11' ' ' SER . 40.1 mt -74.81 176.45 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 73.14 110.928 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -112.79 149.69 32.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 65.34 110.913 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.76 127.2 35.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 33.41 110.889 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.02 169.55 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 55.43 110.858 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -69.37 -9.85 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.862 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.67 5.51 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.902 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.01 8.71 86.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 71.42 112.479 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -105.08 137.18 43.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.962 0.41 . . . . 70.21 110.931 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.499 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 21.3 m -76.63 155.39 33.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 70.13 110.896 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 -158.14 27.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 31.04 112.455 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.84 -171.55 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 62.11 110.856 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.31 173.43 43.37 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-O 119.146 -0.808 . . . . 74.33 112.448 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.74 14.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.506 1.793 . . . . 74.44 111.028 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.994 -1.003 . . . . 52.12 111.078 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.27 -39.86 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 75.31 110.915 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 79.4 m -94.99 -24.46 16.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.863 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 62.03 112.473 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.329 . . . . 43.25 111.15 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.7 -69.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 42.52 111.13 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 127.46 137.52 4.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.758 . . . . 54.32 112.458 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -90.14 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 73.2 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 21.5 m -67.76 151.78 46.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 53.34 110.882 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -108.29 120.85 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.02 110.97 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 47.83 34.32 3.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 70.55 110.899 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.99 34.74 51.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 71.02 112.455 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -145.92 145.6 30.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 63.03 110.878 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.847 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 91.4 m -132.3 136.99 47.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.865 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t -76.26 -173.04 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.81 23.6 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 62.51 112.484 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.55 23.84 36.98 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 62.32 112.507 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 23' ' ' GLY . 27.3 mt -79.02 178.16 8.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 53.43 110.929 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.21 151.45 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.54 110.865 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.67 127.03 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 p -82.07 169.55 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 54.45 110.829 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -69.25 -9.93 55.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 73.12 110.916 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -100.88 6.13 43.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 73.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.18 9.08 86.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 62.1 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -105.3 137.14 43.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.948 0.404 . . . . 72.55 110.944 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.3 m -76.71 154.36 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 73.45 110.869 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' C ' HD22 ' A' ' 14' ' ' LEU . . . 174.01 -158.06 26.55 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 55.33 112.459 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.58 -171.62 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 75.34 110.886 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 173.31 42.97 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 119.161 -0.799 . . . . 53.1 112.47 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.83 14.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 23.24 111.012 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -4.15 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.004 -0.998 . . . . 51.43 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.02 -39.99 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.889 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -95.11 -24.39 16.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.853 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 51.41 112.489 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.798 0.333 . . . . 63.13 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.74 -55.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 63.54 111.092 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.37 137.55 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 70.22 112.493 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -90.09 140.34 29.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 74.25 110.911 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 20.2 m -67.75 170.94 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -131.91 103.12 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.94 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.65 34.88 3.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.875 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.05 22.78 31.71 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 74.04 112.498 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.92 156.9 35.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 73.51 110.838 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 33.7 m -149.5 166.64 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 55.04 110.86 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.1 p -89.46 160.66 16.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 52.14 110.857 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.45 30.99 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 45.43 112.5 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.17 31.63 34.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 63.1 112.463 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.434 HD22 ' C ' ' A' ' 23' ' ' GLY . 32.5 mt -74.94 177.71 6.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 70.4 110.94 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.5 m -108.89 149.0 29.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 51.02 110.872 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.0 t -85.45 127.07 34.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 52.25 110.897 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.01 169.48 16.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.84 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.52 -9.69 54.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.04 110.886 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -100.14 2.99 43.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.67 8.45 82.86 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.499 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -106.05 137.28 44.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.979 0.419 . . . . 71.31 110.908 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.62 154.87 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 75.55 110.878 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' HD22 ' A' ' 14' ' ' LEU . . . 174.12 -157.66 25.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 23.11 112.496 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.32 -171.75 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 74.23 110.849 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.27 173.19 43.41 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-O 119.146 -0.808 . . . . 62.13 112.498 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.8 14.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 73.32 111.009 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.56 -4.23 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 71.33 111.104 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.05 -40.34 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.94 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.6 m -94.91 -24.33 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.25 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 60.42 112.485 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.798 0.332 . . . . 70.33 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.0 -50.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.089 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.66 137.54 4.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 52.5 112.492 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -90.2 141.8 28.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 75.04 110.962 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 19.8 m -67.81 178.16 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.877 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -131.98 94.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 47.28 35.47 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 75.52 110.847 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.6 17.56 33.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 42.21 112.487 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -124.75 111.33 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 55.12 110.892 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.922 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 9.3 m -104.55 -179.42 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 54.43 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' HB3' HD12 ' A' ' 14' ' ' LEU . 14.1 t -70.73 133.22 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 65.51 110.877 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.41 -110.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 65.22 112.493 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.31 33.27 3.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 64.21 112.476 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD12 ' HB3' ' A' ' 11' ' ' SER . 32.5 mt -74.85 176.34 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 64.11 110.947 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.4 m -113.97 148.9 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 54.31 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -86.66 127.57 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -82.03 169.32 16.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.871 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -9.77 55.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.9 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -99.91 2.97 44.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.1 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.81 8.16 83.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.767 -0.73 . . . . 63.22 112.496 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -105.62 137.06 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.967 0.413 . . . . 74.3 110.895 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 25.8 m -76.65 155.79 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 62.01 110.889 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.26 -157.65 26.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 72.41 112.483 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -131.67 -171.56 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 73.53 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.82 173.42 44.08 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-O 119.136 -0.813 . . . . 70.43 112.466 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -22.52 14.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 65.34 111.041 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.43 -4.4 50.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.99 -1.004 . . . . 64.4 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.03 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.942 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 80.6 m -94.92 -24.36 17.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 72.03 110.903 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.692 -0.766 . . . . 62.24 112.519 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.33 . . . . 74.21 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.77 -75.8 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 64.14 111.084 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -141.86 -136.88 3.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 64.43 112.519 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -90.1 169.9 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 75.14 110.923 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 15.8 m -80.98 170.39 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 70.25 110.89 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -131.89 106.02 7.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.905 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.75 35.23 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 71.51 110.936 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.32 27.58 36.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 62.34 112.45 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.37 122.8 11.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 73.11 110.842 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.543 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 42.8 m -103.65 166.39 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 65.41 110.873 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.0 t -96.09 174.08 7.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.849 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.35 21.95 49.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 61.33 112.462 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.61 20.34 59.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 63.4 112.506 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.01 176.37 7.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 71.02 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.2 m -110.34 147.73 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.889 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.3 t -85.5 126.04 33.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.886 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 p -82.04 169.25 16.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 72.34 110.861 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -69.52 -9.62 54.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 43.21 110.92 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.41 3.32 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.934 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.06 8.75 83.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 63.14 112.437 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -106.07 138.52 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.946 0.403 . . . . 74.31 110.915 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 m -76.51 154.27 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 51.44 110.847 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.97 -159.08 28.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 72.41 112.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -130.81 -171.77 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 74.41 110.836 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.18 173.14 41.99 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 119.153 -0.804 . . . . 43.51 112.479 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.18 14.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.506 1.793 . . . . 64.01 111.017 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.79 -3.83 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 60.54 111.154 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -117.01 -39.93 3.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.941 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.9 m -95.03 -24.65 16.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 51.13 110.874 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 64.11 112.526 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.756 0.313 . . . . 62.11 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.1 72.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 44.24 111.092 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.55 137.4 3.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 52.13 112.497 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.19 137.65 32.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 71.33 110.911 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.652 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 48.4 m -67.6 155.71 38.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -107.18 119.98 40.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.925 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 47.93 35.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.883 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.85 33.45 55.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 73.21 112.512 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -154.27 134.95 13.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 71.51 110.856 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.652 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 86.6 m -100.44 177.77 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 52.14 110.872 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -64.84 147.96 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 73.51 110.838 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.85 102.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.71 -36.09 2.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 74.14 112.432 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 mt -94.18 174.29 7.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.831 0.348 . . . . 71.11 110.92 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.3 m -129.03 148.65 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.22 110.861 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.7 t -85.16 126.99 34.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 64.4 110.92 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.19 169.67 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.84 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.48 -9.67 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 71.13 110.91 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.42 4.42 43.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.2 8.95 84.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 73.44 112.517 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -106.36 137.12 44.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 72.45 110.924 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.43 157.46 32.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 62.45 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.58 -157.63 28.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 62.03 112.497 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.92 -171.56 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 43.32 110.85 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.36 44.22 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-O 119.111 -0.827 . . . . 52.11 112.494 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.47 14.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.547 1.814 . . . . 54.45 110.997 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.45 -4.38 50.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.982 -1.008 . . . . 74.02 111.054 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.45 -40.12 3.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.873 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 91.2 m -94.97 -24.24 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 61.42 112.516 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.79 0.328 . . . . 64.33 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.72 -70.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 61.4 111.071 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.48 137.55 4.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 63.01 112.448 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -90.14 137.84 32.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 71.13 110.925 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.7 m -67.63 155.25 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 41.44 110.874 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -107.46 120.45 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 47.91 34.8 4.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 65.41 110.931 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.12 33.77 53.62 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.773 -0.727 . . . . 64.54 112.505 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -154.23 136.66 14.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 61.03 110.891 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 85.2 m -102.36 177.57 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 62.22 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -64.85 148.14 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.852 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.88 102.16 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 70.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.47 -35.91 2.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 61.12 112.45 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.0 mt -94.15 174.4 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 74.51 110.886 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.0 m -129.71 148.26 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.902 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.63 127.01 33.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.26 169.61 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.883 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.46 -9.65 54.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -100.44 4.4 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.902 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.23 9.12 84.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 75.14 112.462 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -106.6 136.99 45.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.971 0.415 . . . . 72.11 110.909 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.35 157.36 32.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.908 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.75 -157.52 27.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 74.52 112.471 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.72 -171.63 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 65.24 110.87 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.71 173.35 44.22 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 119.142 -0.81 . . . . 73.44 112.442 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.43 14.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 72.32 111.033 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.48 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.009 -0.996 . . . . 73.52 111.085 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.33 -40.22 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.933 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.5 m -95.0 -24.05 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.35 110.907 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 73.44 112.502 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.784 0.326 . . . . 72.52 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.85 -68.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 44.03 111.11 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.33 137.62 4.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 51.43 112.522 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.2 137.53 32.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 75.34 110.889 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 43.2 m -67.67 155.52 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.881 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -107.42 119.99 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.878 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 47.84 35.48 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 72.51 110.891 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.58 55.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 73.23 112.512 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -154.24 135.2 13.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.373 . . . . 71.42 110.866 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 84.7 m -100.73 177.65 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 52.45 110.913 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -64.88 148.09 52.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 75.44 110.826 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.86 102.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 75.25 112.523 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.63 -36.13 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 53.5 112.514 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.1 174.45 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 73.5 110.956 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 95.2 m -129.47 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.23 110.872 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -84.86 127.26 34.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 51.52 110.86 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.2 p -82.21 169.51 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 71.11 110.871 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -69.57 -9.56 54.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.89 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -100.05 2.86 43.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 71.02 110.921 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.95 8.36 82.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 41.51 112.544 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -106.19 137.19 44.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.37 . . . . 45.52 110.954 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 59.2 m -76.34 157.64 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.67 -157.61 28.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 55.53 112.494 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -131.72 -171.59 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.962 0.41 . . . . 71.21 110.86 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.56 173.35 44.42 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-O 119.181 -0.788 . . . . 62.33 112.452 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.4 14.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.791 . . . . 61.45 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.33 -4.47 51.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.007 -0.997 . . . . 52.4 111.103 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.53 -40.0 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 55.4 110.915 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.7 m -95.04 -24.24 16.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.872 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 75.14 112.481 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.776 0.322 . . . . 63.13 111.091 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.98 -75.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 63.54 111.12 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.88 -135.48 2.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.758 . . . . 55.32 112.45 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -90.13 143.18 27.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 64.24 110.887 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.991 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 61.1 m -67.83 157.27 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 42.12 110.893 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -100.32 119.24 38.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.925 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 47.94 34.47 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 72.43 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.44 49.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 75.42 112.47 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.25 135.1 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.365 . . . . 72.4 110.87 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.991 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 71.9 m -103.89 -173.3 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.848 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.6 m -143.52 -172.35 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 64.44 110.882 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.43 20.61 55.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 74.03 112.499 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.15 19.13 79.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.749 . . . . 64.21 112.489 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.2 mt -87.99 174.29 8.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.339 . . . . 64.05 110.939 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 94.3 m -123.92 145.56 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 42.32 110.904 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.87 126.73 32.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.911 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -82.11 169.63 16.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.05 110.835 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -69.52 -9.6 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 75.1 110.907 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.02 2.78 43.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.255 -0.43 . . . . 65.32 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 9.12 81.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 42.34 112.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -107.23 136.54 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.955 0.407 . . . . 64.41 110.924 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.522 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.1 m -76.7 156.05 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.869 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.49 -157.06 25.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 52.52 112.501 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.4 t -131.2 -171.75 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 73.23 110.897 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.49 173.32 44.52 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-O 119.101 -0.833 . . . . 44.2 112.461 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.29 14.87 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.82 . . . . 72.34 110.993 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.34 -4.6 51.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.025 -0.988 . . . . 70.41 111.083 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -117.42 -40.1 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.939 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m -94.83 -24.21 17.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 65.2 112.503 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.771 0.319 . . . . 74.13 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.97 -76.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 74.22 111.12 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.03 -135.58 2.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 73.4 112.502 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -90.14 146.81 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 61.44 110.907 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.076 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 63.7 m -67.93 157.7 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 44.03 110.878 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -99.6 119.69 38.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.916 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 47.9 34.21 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 71.41 110.847 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.37 33.57 48.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 53.01 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.18 135.8 14.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 75.15 110.923 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.076 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 72.6 m -105.53 -173.1 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.87 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m -143.45 -172.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.836 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.89 19.64 50.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 70.23 112.484 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.61 21.29 79.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 70.11 112.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 mt -88.09 174.77 8.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.376 . . . . 75.14 110.899 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.3 m -123.57 145.28 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.907 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.77 126.54 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -82.17 169.69 16.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.88 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -69.48 -9.69 54.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.898 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -100.14 2.89 43.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 70.15 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.86 8.59 82.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 62.31 112.463 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -106.43 136.7 45.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 70.05 110.948 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 35.7 m -76.69 155.94 32.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 64.01 110.875 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.52 -157.37 25.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 60.5 112.52 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.6 t -131.09 -171.71 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 71.35 110.811 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.35 44.39 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 74.22 112.526 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -22.51 14.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.542 1.812 . . . . 63.15 111.033 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.32 -4.45 50.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.007 -0.997 . . . . 62.41 111.085 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.47 -40.11 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.909 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 94.4 m -94.7 -24.38 17.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 50.23 110.922 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.708 -0.758 . . . . 71.31 112.455 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.791 0.329 . . . . 72.24 111.103 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.02 -75.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 44.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.2 -135.9 2.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 70.21 112.463 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -90.27 146.65 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 63.33 110.88 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 31.0 m -67.76 153.64 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.02 110.901 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -108.09 120.25 41.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.932 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 47.5 35.14 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 75.34 110.894 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.37 35.93 59.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 73.44 112.495 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -151.76 132.92 14.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 75.34 110.873 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 81.5 m -104.04 -175.99 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.11 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -64.85 156.66 30.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.863 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.09 94.76 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 33.25 112.474 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.32 -23.47 4.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.492 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 mt -94.16 174.17 7.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.355 . . . . 61.54 110.933 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -132.99 147.6 52.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.907 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.3 t -82.58 125.59 31.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.863 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.8 p -82.18 169.68 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 64.03 110.862 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -69.47 -9.69 54.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.01 110.896 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -100.59 4.88 43.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 73.22 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.42 9.58 84.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.521 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.03 137.25 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 75.22 110.921 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.9 m -76.43 156.49 33.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.858 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.51 -157.63 27.3 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.775 -0.726 . . . . 60.23 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -131.54 -171.68 2.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 74.04 110.883 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.96 173.31 43.88 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-O 119.086 -0.841 . . . . 70.44 112.534 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 74.23 110.974 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.44 -4.28 50.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.989 -1.005 . . . . 75.14 111.107 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -117.36 -40.23 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.902 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.6 m -94.92 -24.29 17.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 64.33 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 63.22 112.51 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.807 0.337 . . . . 61.42 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.04 -76.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 53.41 111.092 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.67 -134.35 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 65.11 112.478 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.2 144.71 25.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 72.21 110.919 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 36.4 m -67.74 154.88 40.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.861 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.34 118.14 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.882 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 47.84 35.07 4.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 51.41 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.02 33.14 51.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 63.22 112.524 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.16 135.04 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 72.3 110.848 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 83.9 m -101.22 177.22 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 60.32 110.883 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 t -64.86 147.61 52.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.884 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.77 102.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 64.53 112.521 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.15 -35.99 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 71.44 112.472 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.8 mt -94.15 174.54 7.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 72.43 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.0 m -128.77 149.35 50.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.932 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -85.63 126.56 34.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 70.13 110.91 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 p -82.2 169.42 16.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 64.3 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -69.41 -9.71 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.926 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.57 5.07 43.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.26 9.26 85.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 62.33 112.496 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -106.32 137.47 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 71.22 110.943 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.2 m -76.41 157.14 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 54.32 110.903 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.62 -157.83 28.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.764 -0.732 . . . . 72.31 112.511 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 t -132.05 -171.51 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 75.44 110.881 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.03 173.34 43.79 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-O 119.137 -0.813 . . . . 23.04 112.499 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -22.72 14.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 61.31 111.017 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.36 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.0 -1.0 . . . . 74.44 111.107 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -117.24 -40.16 3.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.931 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.3 m -94.96 -24.4 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.86 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 73.15 112.488 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.798 0.332 . . . . 74.32 111.066 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.19 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 75.52 111.076 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.1 -131.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 73.25 112.49 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -90.09 148.34 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 75.02 110.924 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 55.7 m -67.93 156.29 37.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 65.41 110.937 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -107.81 116.66 32.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.54 110.913 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 47.68 40.56 12.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.874 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.8 31.99 67.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 73.31 112.483 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -144.3 135.61 25.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 72.13 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 57.6 m -101.44 -176.0 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 64.1 110.898 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -92.98 152.53 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.861 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.9 -113.67 2.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 72.41 112.462 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.69 30.11 4.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 62.44 112.468 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -74.86 175.68 7.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 73.02 110.912 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.9 m -123.36 149.99 44.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 70.12 110.905 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.73 128.11 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.863 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 p -82.29 169.19 16.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 63.55 110.896 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -9.69 54.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.936 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -100.07 4.12 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.13 110.912 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.84 7.77 85.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 50.33 112.439 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -105.02 137.09 43.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.899 0.381 . . . . 74.24 110.928 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.591 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 76.1 m -76.21 159.97 30.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 71.42 110.852 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.0 -157.46 29.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.736 . . . . 51.02 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 t -133.03 -171.16 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.37 . . . . 72.04 110.902 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.12 173.73 45.06 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.173 -0.793 . . . . 63.12 112.478 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.22 15.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 64.34 110.995 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.19 -4.72 51.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.984 . . . . 75.13 111.089 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -117.66 -39.79 3.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.893 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.9 m -94.74 -24.43 17.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 72.11 110.846 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 64.24 112.479 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.811 0.339 . . . . 73.41 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.39 -44.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.5 111.12 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 128.41 137.59 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.764 . . . . 72.11 112.466 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -90.18 138.35 31.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 75.21 110.867 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 64.1 m -67.84 -176.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.851 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -131.59 116.59 17.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.925 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 48.04 33.31 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 73.3 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.42 33.08 40.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 32.1 112.491 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -154.16 135.14 13.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 60.53 110.909 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.858 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 73.6 m -102.97 -172.13 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 51.42 110.874 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -143.03 -173.05 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 61.13 110.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.17 17.85 46.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 53.13 112.471 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.58 22.0 73.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 63.41 112.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 mt -93.0 174.64 7.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 64.01 110.902 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.1 m -122.45 142.99 49.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.06 127.08 32.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.877 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.83 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 55.4 110.837 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -69.44 -9.75 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 70.05 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -99.89 3.15 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 71.04 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.77 9.07 81.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 72.02 112.493 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.34 135.73 48.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.919 0.39 . . . . 60.44 110.916 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 61.8 m -76.46 158.05 31.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 72.22 110.932 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.33 -156.49 25.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.684 -0.77 . . . . 74.45 112.429 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.68 -171.55 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 73.34 110.874 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.13 173.63 46.38 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 74.33 112.562 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.08 15.18 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 73.41 110.971 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.73 -5.05 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.021 -0.99 . . . . 61.42 111.097 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -117.98 -39.87 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.945 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.6 m -93.93 -24.49 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 63.11 110.865 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.712 . . . . 73.45 112.478 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.69 ' H3 ' HD13 ' A' ' 14' ' ' LEU . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.34 . . . . 73.03 111.098 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.98 -63.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 71.3 111.091 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.28 -134.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 62.51 112.515 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.41 146.86 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 73.1 110.938 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 55.7 m -67.98 -179.78 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 64.45 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -131.62 117.32 18.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 71.25 110.931 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 47.87 33.02 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 71.2 110.878 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.73 35.59 45.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 54.11 112.499 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -150.91 134.82 16.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 64.3 110.865 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.2 m -107.21 -175.42 2.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.13 110.875 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 t -64.44 155.48 32.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 64.04 110.84 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.91 95.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.788 -0.72 . . . . 55.24 112.44 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.33 -25.79 3.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 60.1 112.497 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.69 HD13 ' H3 ' ' A' ' 1' ' ' ALA . 53.5 mt -94.54 173.33 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 52.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.7 m -131.17 148.99 52.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.868 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.7 t -83.77 126.3 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.6 p -82.19 169.43 16.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.846 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -9.61 54.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.863 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -100.14 4.02 44.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 63.34 110.934 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.41 9.63 83.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 71.33 112.463 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -107.68 137.57 45.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.933 0.397 . . . . 74.11 110.936 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.44 ' C ' ' H2 ' ' A' ' 1' ' ' ALA . 60.8 m -76.31 157.7 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 72.44 110.865 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 171.7 -157.86 28.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 44.25 112.484 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.2 t -131.75 -171.7 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 55.31 110.85 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 173.33 44.26 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-O 119.111 -0.827 . . . . 45.43 112.458 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.46 14.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 72.23 110.998 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.39 -4.4 50.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.019 -0.991 . . . . 43.45 111.137 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -117.49 -40.12 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.25 110.966 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 88.9 m -95.0 -24.23 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.864 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.798 -0.715 . . . . 71.43 112.477 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.867 0.365 . . . . 75.44 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.97 -25.49 67.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 73.14 111.132 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.21 -133.0 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 65.25 112.466 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -70.88 144.05 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 73.44 110.944 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 38.2 m -67.81 178.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 64.11 110.889 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.68 116.41 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.925 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 47.76 33.84 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 74.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.28 35.26 48.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 75.22 112.463 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -145.27 134.99 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 75.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 67.8 m -112.04 -175.13 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.894 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.469 ' HB3' HD12 ' A' ' 14' ' ' LEU . 1.9 t -64.36 158.41 23.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.88 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.46 93.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 62.05 112.477 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.92 -19.7 5.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 62.44 112.507 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 11' ' ' SER . 50.7 mt -94.26 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 72.55 110.91 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -134.81 144.88 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 53.54 110.902 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t -80.37 126.49 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 p -82.3 169.89 15.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 74.35 110.88 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -69.5 -9.64 54.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 54.14 110.918 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -99.98 3.23 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.41 110.917 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.47 9.99 80.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 53.44 112.5 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -108.56 135.78 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.975 0.416 . . . . 72.23 110.947 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 5' ' ' CYS . 59.2 m -76.55 157.04 32.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 52.24 110.88 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.21 -156.41 24.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 63.44 112.453 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.8 t -131.16 -171.78 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.365 . . . . 74.24 110.855 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.37 45.61 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-O 119.156 -0.802 . . . . 61.32 112.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.05 15.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.789 . . . . 64.44 111.003 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -4.83 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.932 -1.031 . . . . 52.55 111.082 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -117.74 -40.1 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.31 110.964 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 87.6 m -94.61 -24.21 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 65.31 110.876 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 64.11 112.495 -179.995 . . . . . . . . 0 0 . 1 stop_ save_