data_3zkt_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 3zkt _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 ' 1' ' ' GLU . . . . . 0.649 ' HG2' ' H ' ' A' ' 2' ' ' CYS . 30.7 tt0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 106.822 -1.547 . . . . 71.140000000000001 106.822 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.649 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 93.3 m -112.25 155.8 23.44 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.668 -0.864 . . . . 72.200000000000003 108.668 175.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' C ' ' H ' ' A' ' 5' ' ' ARG . 1.8 p -116.08 101.43 8.73 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 108.308 -0.997 . . . . 75.129999999999995 108.308 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -84.86 40.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 122.138 0.97 . . . . 75.319999999999993 111.118 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 3' ' ' CYS . 12.7 tpp180 -97.25 -23.84 15.97 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.413 -2.44 . . . . 71.140000000000001 104.413 168.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -131.13 -178.19 4.72 Favored 'General case' 0 N--CA 1.421 -1.892 0 CA-C-N 113.165 -1.834 . . . . 74.420000000000002 107.538 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -89.84 -21.59 22.49 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.268 -1.382 . . . . 75.219999999999999 107.268 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.17 151.36 47.7 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.873 -1.512 . . . . 74.439999999999998 110.892 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.6 m -108.09 118.9 37.98 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 108.273 -1.01 . . . . 74.109999999999999 108.273 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.42 -1.953 0 N-CA-C 105.924 -1.88 . . . . 65.409999999999997 105.924 178.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 107.987 -1.116 . . . . 74.25 107.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.1 m -111.0 160.89 16.41 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.975 -0.75 . . . . 75.25 108.975 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 16.4 p -121.82 157.43 31.1 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 119.923 -0.711 . . . . 74.150000000000006 109.859 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -103.21 -0.06 30.96 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.967 -1.123 . . . . 75.420000000000002 107.967 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.79 -36.81 85.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.867 -1.06 . . . . 73.040000000000006 108.265 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -132.34 -172.96 3.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.355 -1.72 . . . . 74.409999999999997 106.355 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.41 -14.76 22.22 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.443 -1.688 . . . . 75.519999999999996 106.443 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.65 166.07 21.54 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 112.737 -2.029 . . . . 74.099999999999994 108.408 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.75 122.52 46.24 Favored 'General case' 0 C--N 1.285 -2.228 0 O-C-N 121.638 -0.664 . . . . 71.340000000000003 109.495 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.436 -1.133 0 N-CA-C 106.779 -1.563 . . . . 74.530000000000001 106.779 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.244 0.809 0 N-CA-C 109.344 -0.613 . . . . 74.439999999999998 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.69 166.53 16.0 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.033 0.444 . . . . 72.329999999999998 111.236 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -114.23 102.51 10.2 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 105.899 -1.889 . . . . 73.299999999999997 105.899 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.91 3.84 11.2 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.617 0.599 . . . . 71.439999999999998 112.617 -171.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 2.5 tpm_? -62.35 -28.86 70.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.98 -1.119 . . . . 75.5 107.98 169.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -123.24 169.48 11.24 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.754 -0.832 . . . . 70.010000000000005 108.754 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.13 -40.05 28.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 105.632 -1.988 . . . . 60.229999999999997 105.632 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 9' ' ' CYS . 3.2 tm? -67.8 152.76 45.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.52 -1.218 . . . . 65.030000000000001 107.978 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.461 ' N ' HD12 ' A' ' 8' ' ' LEU . 88.4 m -106.75 143.54 34.7 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.632 0.73 . . . . 63.350000000000001 112.527 -173.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.431 -1.401 0 N-CA-C 104.688 -2.338 . . . . 75.310000000000002 104.688 173.626 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 78.5 m -128.09 150.58 49.9 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.546 -0.538 . . . . 61.109999999999999 109.546 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.52 102.19 11.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.587 -0.894 . . . . 63.340000000000003 108.587 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.46 -11.7 53.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.49 -0.777 . . . . 71.129999999999995 112.583 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -62.77 -34.59 77.56 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.494 -0.928 . . . . 74.310000000000002 108.494 172.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -112.26 -166.29 1.07 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.906 -1.043 . . . . 75.239999999999995 108.458 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 tp -105.33 -12.16 16.17 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.218 -1.401 . . . . 74.400000000000006 107.218 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.7 163.88 18.93 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.997 -1.456 . . . . 75.140000000000001 110.347 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.3 m -107.84 120.94 43.67 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 107.39 -1.337 . . . . 72.299999999999997 107.39 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 N--CA 1.427 -1.591 0 N-CA-C 109.739 -0.467 . . . . 74.340000000000003 109.739 -174.593 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.238 0.458 0 N-CA-C 109.814 -0.439 . . . . 75.439999999999998 109.814 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.3 m -106.54 143.72 34.24 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.036 -0.727 . . . . 74.329999999999998 109.036 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.65 110.02 22.47 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 108.834 -0.802 . . . . 74.310000000000002 108.834 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -76.76 3.08 12.58 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.626 0.727 . . . . 75.219999999999999 111.495 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -69.94 -25.93 63.88 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 107.54 -1.282 . . . . 75.450000000000003 107.54 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.68 -174.91 2.97 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 105.992 -1.855 . . . . 74.209999999999994 105.992 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.61 -10.1 18.69 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.071 -1.455 . . . . 73.150000000000006 107.071 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.0 tp -82.88 163.81 20.9 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 113.562 -1.654 . . . . 73.230000000000004 108.713 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.1 m -107.23 138.1 44.05 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.934 -0.479 . . . . 74.25 110.094 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 106.415 -1.698 . . . . 71.409999999999997 106.415 177.721 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.297 0.57 . . . . 73.299999999999997 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -122.3 154.63 37.35 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.512 -0.767 . . . . 74.409999999999997 109.356 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.0 p -126.84 110.15 12.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.52 -0.918 . . . . 75.310000000000002 108.52 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -80.62 5.45 15.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 70.409999999999997 111.501 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 4.8 ptm180 -69.55 -16.26 63.39 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 108.173 -1.047 . . . . 75.400000000000006 108.173 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.623 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 17.1 mt-30 -137.17 179.13 6.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 125.619 1.568 . . . . 75.209999999999994 106.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -91.16 -34.78 14.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.869 -1.16 . . . . 70.310000000000002 107.869 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.76 163.51 21.51 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.031 -1.44 . . . . 73.510000000000005 110.255 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.05 127.04 52.9 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.976 -1.491 . . . . 74.530000000000001 106.976 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.29 -1.986 0 N-CA-C 108.729 -0.841 . . . . 70.120000000000005 108.729 -177.392 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 108.987 -0.746 . . . . 73.010000000000005 108.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 72.8 m -134.01 168.51 18.67 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 122.777 0.431 . . . . 73.430000000000007 109.954 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.8 p -115.96 102.74 9.93 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.117 -0.697 . . . . 73.319999999999993 109.117 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -78.83 0.77 25.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.737 -0.665 . . . . 74.129999999999995 111.685 -172.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -74.34 -13.45 60.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 107.669 -1.234 . . . . 75.319999999999993 107.669 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -135.21 -163.41 1.38 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.0 1.72 . . . . 73.230000000000004 106.632 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -103.73 -12.12 17.18 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.744 -1.206 . . . . 73.099999999999994 107.744 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 tp -72.91 163.47 28.1 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.791 -1.549 . . . . 75.129999999999995 111.135 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 99.7 m -108.72 119.17 38.76 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.296 0.569 . . . . 73.299999999999997 109.756 173.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 57.4 m . . . . . 0 C--N 1.302 -1.498 0 N-CA-C 106.069 -1.826 . . . . 64.239999999999995 106.069 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.558 -0.534 . . . . 73.329999999999998 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.2 m -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.252 -1.018 . . . . 72.140000000000001 108.252 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.37 112.91 7.97 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 120.857 0.36 . . . . 73.439999999999998 110.924 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -60.26 -22.36 62.99 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.409 1.083 . . . . 65.140000000000001 110.295 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.96 -17.54 63.31 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.036 0.934 . . . . 71.219999999999999 111.31 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -132.36 -176.55 4.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.415 -0.357 . . . . 74.439999999999998 110.329 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.65 -45.08 6.19 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.226 -1.028 . . . . 63.32 108.226 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.81 163.85 27.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.688 -1.227 . . . . 74.439999999999998 107.688 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -105.24 119.73 39.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.711 0.767 . . . . 54.200000000000003 110.134 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.421 -1.901 0 CA-C-N 114.891 -1.05 . . . . 75.340000000000003 108.636 -179.747 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 121.37 0.605 . . . . 74.430000000000007 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.56 174.37 10.7 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.796 -1.187 . . . . 72.0 107.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 7.1 p -121.51 131.4 54.12 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.011 -0.676 . . . . 72.5 109.71 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.02 -21.47 65.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.853 0.835 . . . . 75.439999999999998 109.641 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -60.91 -37.23 81.53 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.987 1.315 . . . . 75.340000000000003 111.42 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -126.24 -178.55 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 71.450000000000003 111.376 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 tp -98.36 -22.21 16.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.513 -1.662 . . . . 75.019999999999996 106.513 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.99 165.41 24.09 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.499 -1.682 . . . . 72.340000000000003 108.142 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.4 m -106.42 125.68 51.3 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.596 -0.69 . . . . 70.420000000000002 110.357 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.9 m . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 105.911 -1.885 . . . . 72.409999999999997 105.911 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 120.926 0.393 . . . . 74.049999999999997 110.507 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.0 m -116.55 160.69 20.27 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.102 -0.703 . . . . 65.329999999999998 109.102 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -100.85 101.91 12.84 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 106.809 -1.552 . . . . 72.120000000000005 106.809 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.73 -13.98 62.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.807 -1.088 . . . . 71.010000000000005 112.242 -170.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 16.2 ptm180 -74.34 -5.15 40.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.504 0.669 . . . . 74.430000000000007 110.099 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 26.8 mt-30 -137.83 -172.05 3.15 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 125.253 1.421 . . . . 74.219999999999999 107.734 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -100.98 -36.29 9.07 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.885 -1.524 . . . . 75.319999999999993 106.885 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 9' ' ' CYS . 9.6 tt -64.44 159.45 21.35 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.415 -1.266 . . . . 75.349999999999994 109.967 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -107.63 119.14 38.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.641 -0.662 . . . . 75.230000000000004 110.811 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.423 -1.812 0 N-CA-C 108.074 -1.084 . . . . 73.519999999999996 108.074 179.656 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.649 ' HG2' ' H ' ' A' ' 2' ' ' CYS . 30.7 tt0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 106.822 -1.547 . . . . 71.140000000000001 106.822 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.649 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 93.3 m -112.25 155.8 23.44 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.668 -0.864 . . . . 72.200000000000003 108.668 175.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 12' ' ' ARG . 1.8 p -116.08 101.43 8.73 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 108.308 -0.997 . . . . 75.129999999999995 108.308 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -84.86 40.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 122.138 0.97 . . . . 75.319999999999993 111.118 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 3' ' ' CYS . 12.7 tpp180 -97.25 -23.84 15.97 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.413 -2.44 . . . . 71.140000000000001 104.413 168.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -131.13 -178.19 4.72 Favored 'General case' 0 N--CA 1.421 -1.892 0 CA-C-N 113.165 -1.834 . . . . 74.420000000000002 107.538 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -89.84 -21.59 22.49 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.268 -1.382 . . . . 75.219999999999999 107.268 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.17 151.36 47.7 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.873 -1.512 . . . . 74.439999999999998 110.892 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.6 m -108.09 118.9 37.98 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 108.273 -1.01 . . . . 74.109999999999999 108.273 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -135.01 151.02 50.42 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 105.924 -1.88 . . . . 65.409999999999997 105.924 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.05 99.27 0.25 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.83 0.824 . . . . 72.420000000000002 111.874 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.2 tmm_? -103.85 114.54 28.87 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 104.548 -2.39 . . . . 75.200000000000003 104.548 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -78.61 102.87 8.2 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.147 -1.057 . . . . 75.140000000000001 108.147 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 15' ' ' NH2 . 7.4 p -64.17 -80.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 O-C-N 123.533 0.521 . . . . 74.0 112.062 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . 0.419 ' N ' HG11 ' A' ' 14' ' ' VAL . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.314 -0.866 . . . . 71.010000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 107.987 -1.116 . . . . 74.25 107.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.1 m -111.0 160.89 16.41 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.975 -0.75 . . . . 75.25 108.975 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 16.4 p -121.82 157.43 31.1 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 119.923 -0.711 . . . . 74.150000000000006 109.859 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -103.21 -0.06 30.96 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.967 -1.123 . . . . 75.420000000000002 107.967 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.79 -36.81 85.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.867 -1.06 . . . . 73.040000000000006 108.265 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -132.34 -172.96 3.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.355 -1.72 . . . . 74.409999999999997 106.355 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.41 -14.76 22.22 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.443 -1.688 . . . . 75.519999999999996 106.443 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.65 166.07 21.54 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 112.737 -2.029 . . . . 74.099999999999994 108.408 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.2 m -105.75 122.52 46.24 Favored 'General case' 0 C--N 1.285 -2.228 0 O-C-N 121.638 -0.664 . . . . 71.340000000000003 109.495 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.7 m -97.85 104.91 16.98 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 106.779 -1.563 . . . . 74.530000000000001 106.779 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.07 118.28 11.03 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 114.211 1.189 . . . . 72.430000000000007 114.211 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' HE ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -117.55 135.18 54.13 Favored 'General case' 0 N--CA 1.413 -2.283 0 N-CA-C 103.849 -2.648 . . . . 72.430000000000007 103.849 172.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -74.38 83.76 1.94 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.13 0.491 . . . . 71.120000000000005 110.675 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG22 ' HE ' ' A' ' 12' ' ' ARG . 45.3 t -72.22 -74.72 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-N 114.962 -1.017 . . . . 74.319999999999993 108.922 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.178 0 CA-C-N 116.345 -0.389 . . . . 75.209999999999994 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.244 0.809 0 N-CA-C 109.344 -0.613 . . . . 74.439999999999998 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.69 166.53 16.0 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.033 0.444 . . . . 72.329999999999998 111.236 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -114.23 102.51 10.2 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 105.899 -1.889 . . . . 73.299999999999997 105.899 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.91 3.84 11.2 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.617 0.599 . . . . 71.439999999999998 112.617 -171.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 2.5 tpm_? -62.35 -28.86 70.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.98 -1.119 . . . . 75.5 107.98 169.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -123.24 169.48 11.24 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.754 -0.832 . . . . 70.010000000000005 108.754 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.13 -40.05 28.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 105.632 -1.988 . . . . 60.229999999999997 105.632 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 9' ' ' CYS . 3.2 tm? -67.8 152.76 45.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.52 -1.218 . . . . 65.030000000000001 107.978 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.461 ' N ' HD12 ' A' ' 8' ' ' LEU . 88.4 m -106.75 143.54 34.7 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.632 0.73 . . . . 63.350000000000001 112.527 -173.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -97.95 104.69 16.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 104.688 -2.338 . . . . 75.310000000000002 104.688 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.89 98.42 3.0 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.393 0.616 . . . . 74.530000000000001 111.697 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.82 116.82 29.32 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 105.481 -2.044 . . . . 74.109999999999999 105.481 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -70.34 100.31 1.71 Allowed 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.515 -0.92 . . . . 74.409999999999997 108.515 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.0 t -70.58 110.33 3.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 CA-C-N 114.662 -1.154 . . . . 63.32 110.313 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 CA-C-N 116.358 -0.383 . . . . 21.52 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 78.5 m -128.09 150.58 49.9 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.546 -0.538 . . . . 61.109999999999999 109.546 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.52 102.19 11.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.587 -0.894 . . . . 63.340000000000003 108.587 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.46 -11.7 53.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.49 -0.777 . . . . 71.129999999999995 112.583 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -62.77 -34.59 77.56 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.494 -0.928 . . . . 74.310000000000002 108.494 172.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -112.26 -166.29 1.07 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.906 -1.043 . . . . 75.239999999999995 108.458 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 tp -105.33 -12.16 16.17 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.218 -1.401 . . . . 74.400000000000006 107.218 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.7 163.88 18.93 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.997 -1.456 . . . . 75.140000000000001 110.347 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.3 m -107.84 120.94 43.67 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 107.39 -1.337 . . . . 72.299999999999997 107.39 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.9 m -96.97 111.5 23.69 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 109.739 -0.467 . . . . 74.340000000000003 109.739 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.0 tp -64.64 119.42 10.48 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-N 114.962 -1.017 . . . . 75.099999999999994 108.56 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.98 86.69 4.05 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 105.535 -2.024 . . . . 74.430000000000007 105.535 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -74.26 93.62 2.38 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.114 -0.948 . . . . 75.209999999999994 110.384 -173.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.98 98.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 N-CA-C 108.893 -0.78 . . . . 74.530000000000001 108.893 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 CA-C-N 116.504 -0.317 . . . . 73.010000000000005 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.733 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . 36.9 tt0 . . . . . 0 C--O 1.238 0.458 0 N-CA-C 109.814 -0.439 . . . . 75.439999999999998 109.814 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.3 m -106.54 143.72 34.24 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.036 -0.727 . . . . 74.329999999999998 109.036 174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.65 110.02 22.47 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 108.834 -0.802 . . . . 74.310000000000002 108.834 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -76.76 3.08 12.58 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.626 0.727 . . . . 75.219999999999999 111.495 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -69.94 -25.93 63.88 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 107.54 -1.282 . . . . 75.450000000000003 107.54 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.68 -174.91 2.97 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 105.992 -1.855 . . . . 74.209999999999994 105.992 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.61 -10.1 18.69 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.071 -1.455 . . . . 73.150000000000006 107.071 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.0 tp -82.88 163.81 20.9 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 113.562 -1.654 . . . . 73.230000000000004 108.713 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.1 m -107.23 138.1 44.05 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.934 -0.479 . . . . 74.25 110.094 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -162.25 142.63 10.07 Favored 'General case' 0 N--CA 1.423 -1.816 0 N-CA-C 106.415 -1.698 . . . . 71.409999999999997 106.415 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.733 ' HG ' ' HB3' ' A' ' 1' ' ' GLU . 7.0 mp -83.99 112.65 20.37 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 106.395 -1.706 . . . . 75.219999999999999 106.395 174.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.62 114.32 26.84 Favored 'General case' 0 N--CA 1.413 -2.296 0 N-CA-C 108.714 -0.847 . . . . 75.230000000000004 108.714 -171.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -78.0 96.96 5.2 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 106.629 -1.619 . . . . 74.439999999999998 106.629 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.0 t -57.27 -66.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 115.104 -0.953 . . . . 63.549999999999997 110.973 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 116.222 -0.445 . . . . 75.329999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.297 0.57 . . . . 73.299999999999997 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -122.3 154.63 37.35 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.512 -0.767 . . . . 74.409999999999997 109.356 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.0 p -126.84 110.15 12.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.52 -0.918 . . . . 75.310000000000002 108.52 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -80.62 5.45 15.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 70.409999999999997 111.501 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 4.8 ptm180 -69.55 -16.26 63.39 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 108.173 -1.047 . . . . 75.400000000000006 108.173 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.623 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 17.1 mt-30 -137.17 179.13 6.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 125.619 1.568 . . . . 75.209999999999994 106.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -91.16 -34.78 14.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.869 -1.16 . . . . 70.310000000000002 107.869 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.76 163.51 21.51 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.031 -1.44 . . . . 73.510000000000005 110.255 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.05 127.04 52.9 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.976 -1.491 . . . . 74.530000000000001 106.976 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.2 p -132.7 150.65 52.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.729 -0.841 . . . . 70.120000000000005 108.729 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -76.91 121.49 23.51 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 104.895 -2.261 . . . . 63.420000000000002 104.895 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-O 121.489 0.661 . . . . 72.120000000000005 111.419 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.07 85.51 6.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 108.397 -0.964 . . . . 73.209999999999994 108.397 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 p -67.36 105.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-N 114.599 -1.182 . . . . 71.530000000000001 110.105 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.606 0 CA-C-N 116.284 -0.416 . . . . 41.299999999999997 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.521 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . 9.5 tp10 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 108.987 -0.746 . . . . 73.010000000000005 108.987 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 72.8 m -134.01 168.51 18.67 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 122.777 0.431 . . . . 73.430000000000007 109.954 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.8 p -115.96 102.74 9.93 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.117 -0.697 . . . . 73.319999999999993 109.117 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -78.83 0.77 25.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.737 -0.665 . . . . 74.129999999999995 111.685 -172.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -74.34 -13.45 60.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 107.669 -1.234 . . . . 75.319999999999993 107.669 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -135.21 -163.41 1.38 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.0 1.72 . . . . 73.230000000000004 106.632 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -103.73 -12.12 17.18 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.744 -1.206 . . . . 73.099999999999994 107.744 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 tp -72.91 163.47 28.1 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.791 -1.549 . . . . 75.129999999999995 111.135 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 99.7 m -108.72 119.17 38.76 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.296 0.569 . . . . 73.299999999999997 109.756 173.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 57.4 m -117.99 120.8 38.91 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 106.069 -1.826 . . . . 64.239999999999995 106.069 178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' A' ' 1' ' ' GLU . 5.8 tt -105.82 121.85 44.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.125 -0.694 . . . . 74.209999999999994 109.125 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -114.3 129.93 56.65 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.251 -0.648 . . . . 75.420000000000002 109.251 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -101.67 87.02 3.05 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 107.944 -1.132 . . . . 74.109999999999999 107.944 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.27 96.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 CA-C-N 115.143 -0.935 . . . . 72.430000000000007 110.945 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.597 0 CA-C-N 116.136 -0.484 . . . . 53.100000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.762 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . 6.9 tp10 . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.558 -0.534 . . . . 73.329999999999998 109.558 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.2 m -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.252 -1.018 . . . . 72.140000000000001 108.252 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.37 112.91 7.97 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 120.857 0.36 . . . . 73.439999999999998 110.924 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -60.26 -22.36 62.99 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.409 1.083 . . . . 65.140000000000001 110.295 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.96 -17.54 63.31 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.036 0.934 . . . . 71.219999999999999 111.31 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -132.36 -176.55 4.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.415 -0.357 . . . . 74.439999999999998 110.329 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.65 -45.08 6.19 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.226 -1.028 . . . . 63.32 108.226 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.81 163.85 27.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.688 -1.227 . . . . 74.439999999999998 107.688 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -105.24 119.73 39.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.711 0.767 . . . . 54.200000000000003 110.134 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -114.17 132.73 55.99 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.891 -1.05 . . . . 75.340000000000003 108.636 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.762 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 6.7 mp -84.1 105.55 15.05 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.757 -0.46 . . . . 75.200000000000003 109.757 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -135.6 116.91 14.58 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.86 -0.609 . . . . 74.439999999999998 110.997 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -86.13 78.05 9.47 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.774 -0.825 . . . . 65.5 108.774 176.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.7 107.12 4.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.471 -0.786 . . . . 65.420000000000002 111.055 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.762 0 O-C-N 121.986 -0.446 . . . . 53.310000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 121.37 0.605 . . . . 74.430000000000007 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.56 174.37 10.7 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.796 -1.187 . . . . 72.0 107.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 7.1 p -121.51 131.4 54.12 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.011 -0.676 . . . . 72.5 109.71 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.02 -21.47 65.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.853 0.835 . . . . 75.439999999999998 109.641 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -60.91 -37.23 81.53 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.987 1.315 . . . . 75.340000000000003 111.42 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -126.24 -178.55 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 71.450000000000003 111.376 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 tp -98.36 -22.21 16.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.513 -1.662 . . . . 75.019999999999996 106.513 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.99 165.41 24.09 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.499 -1.682 . . . . 72.340000000000003 108.142 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.4 m -106.42 125.68 51.3 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.596 -0.69 . . . . 70.420000000000002 110.357 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.9 m -96.63 110.57 22.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 105.911 -1.885 . . . . 72.409999999999997 105.911 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -86.69 154.45 20.97 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.823 -1.081 . . . . 74.409999999999997 113.679 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.655 ' HE ' HG22 ' A' ' 14' ' ' VAL . 29.3 ttp180 -142.37 131.41 23.15 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 104.293 -2.484 . . . . 75.140000000000001 104.293 168.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -86.97 88.62 7.75 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.298 -1.371 . . . . 74.349999999999994 107.298 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.655 HG22 ' HE ' ' A' ' 12' ' ' ARG . 41.8 t -67.11 97.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 114.077 -1.42 . . . . 70.120000000000005 110.169 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.76 0 CA-C-N 116.206 -0.452 . . . . 61.310000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 120.926 0.393 . . . . 74.049999999999997 110.507 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.0 m -116.55 160.69 20.27 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.102 -0.703 . . . . 65.329999999999998 109.102 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -100.85 101.91 12.84 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 106.809 -1.552 . . . . 72.120000000000005 106.809 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.73 -13.98 62.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.807 -1.088 . . . . 71.010000000000005 112.242 -170.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 16.2 ptm180 -74.34 -5.15 40.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.504 0.669 . . . . 74.430000000000007 110.099 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 26.8 mt-30 -137.83 -172.05 3.15 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 125.253 1.421 . . . . 74.219999999999999 107.734 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -100.98 -36.29 9.07 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.885 -1.524 . . . . 75.319999999999993 106.885 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 9' ' ' CYS . 9.6 tt -64.44 159.45 21.35 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.415 -1.266 . . . . 75.349999999999994 109.967 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -107.63 119.14 38.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.641 -0.662 . . . . 75.230000000000004 110.811 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.75 103.59 15.56 Favored 'General case' 0 N--CA 1.423 -1.812 0 N-CA-C 108.074 -1.084 . . . . 73.519999999999996 108.074 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.9 pt? -110.27 163.48 13.6 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.14 -0.936 . . . . 75.439999999999998 110.235 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -130.34 135.41 48.04 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-N 115.932 -0.576 . . . . 72.109999999999999 110.586 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -92.81 74.17 4.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.643 -0.873 . . . . 72.219999999999999 108.643 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 p -91.11 -63.17 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 114.631 -1.168 . . . . 74.409999999999997 110.957 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 122.213 -0.304 . . . . 52.409999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.645 ' HG2' ' H ' ' A' ' 2' ' ' CYS . 30.7 tt0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 106.822 -1.547 . . . . 44.420000000000002 106.822 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.645 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 93.3 m -112.25 155.8 23.44 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.668 -0.864 . . . . 65.040000000000006 108.668 175.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.08 101.43 8.73 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 108.308 -0.997 . . . . 75.129999999999995 108.308 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -84.86 40.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 122.138 0.97 . . . . 74.530000000000001 111.118 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -97.25 -23.84 15.97 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.413 -2.44 . . . . 71.140000000000001 104.413 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -131.13 -178.19 4.72 Favored 'General case' 0 N--CA 1.421 -1.892 0 CA-C-N 113.165 -1.834 . . . . 71.310000000000002 107.538 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -89.84 -21.59 22.49 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.268 -1.382 . . . . 74.420000000000002 107.268 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.17 151.36 47.7 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.873 -1.512 . . . . 71.299999999999997 110.892 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.6 m -108.09 118.9 37.98 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 108.273 -1.01 . . . . 50.200000000000003 108.273 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.42 -1.953 0 N-CA-C 105.924 -1.88 . . . . 61.020000000000003 105.924 178.884 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 107.987 -1.116 . . . . 74.25 107.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.1 m -111.0 160.89 16.41 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.975 -0.75 . . . . 75.25 108.975 176.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 16.4 p -121.82 157.43 31.1 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 119.923 -0.711 . . . . 74.150000000000006 109.859 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -103.21 -0.06 30.96 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.967 -1.123 . . . . 75.420000000000002 107.967 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.79 -36.81 85.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.867 -1.06 . . . . 73.040000000000006 108.265 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -132.34 -172.96 3.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.355 -1.72 . . . . 74.409999999999997 106.355 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.41 -14.76 22.22 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.443 -1.688 . . . . 75.519999999999996 106.443 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.65 166.07 21.54 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 112.737 -2.029 . . . . 74.099999999999994 108.408 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 78.2 m -105.75 122.52 46.24 Favored 'General case' 0 C--N 1.285 -2.228 0 O-C-N 121.638 -0.664 . . . . 71.340000000000003 109.495 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.436 -1.133 0 N-CA-C 106.779 -1.563 . . . . 74.530000000000001 106.779 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.244 0.809 0 N-CA-C 109.344 -0.613 . . . . 74.439999999999998 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.69 166.53 16.0 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.033 0.444 . . . . 72.329999999999998 111.236 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -114.23 102.51 10.2 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 105.899 -1.889 . . . . 73.299999999999997 105.899 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.91 3.84 11.2 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.617 0.599 . . . . 53.109999999999999 112.617 -171.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 2.5 tpm_? -62.35 -28.86 70.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.98 -1.119 . . . . 75.5 107.98 169.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -123.24 169.48 11.24 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.754 -0.832 . . . . 70.010000000000005 108.754 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.13 -40.05 28.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 105.632 -1.988 . . . . 52.340000000000003 105.632 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 9' ' ' CYS . 3.2 tm? -67.8 152.76 45.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.52 -1.218 . . . . 65.030000000000001 107.978 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' N ' HD13 ' A' ' 8' ' ' LEU . 88.4 m -106.75 143.54 34.7 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.632 0.73 . . . . 63.350000000000001 112.527 -173.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.431 -1.401 0 N-CA-C 104.688 -2.338 . . . . 75.310000000000002 104.688 173.626 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 78.5 m -128.09 150.58 49.9 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.546 -0.538 . . . . 54.350000000000001 109.546 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.52 102.19 11.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.587 -0.894 . . . . 63.340000000000003 108.587 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.46 -11.7 53.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.49 -0.777 . . . . 71.129999999999995 112.583 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -62.77 -34.59 77.56 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.494 -0.928 . . . . 65.219999999999999 108.494 172.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -112.26 -166.29 1.07 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.906 -1.043 . . . . 75.239999999999995 108.458 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 tp -105.33 -12.16 16.17 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.218 -1.401 . . . . 73.049999999999997 107.218 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.7 163.88 18.93 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.997 -1.456 . . . . 75.140000000000001 110.347 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.3 m -107.84 120.94 43.67 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 107.39 -1.337 . . . . 54.32 107.39 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 N--CA 1.427 -1.591 0 N-CA-C 109.739 -0.467 . . . . 71.310000000000002 109.739 -174.593 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.238 0.458 0 N-CA-C 109.814 -0.439 . . . . 75.439999999999998 109.814 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 65.3 m -106.54 143.72 34.24 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.036 -0.727 . . . . 74.329999999999998 109.036 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.65 110.02 22.47 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 108.834 -0.802 . . . . 63.109999999999999 108.834 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -76.76 3.08 12.58 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.626 0.727 . . . . 63.43 111.495 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -69.94 -25.93 63.88 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 107.54 -1.282 . . . . 72.109999999999999 107.54 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.68 -174.91 2.97 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 105.992 -1.855 . . . . 71.010000000000005 105.992 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.61 -10.1 18.69 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.071 -1.455 . . . . 73.150000000000006 107.071 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.0 tp -82.88 163.81 20.9 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 113.562 -1.654 . . . . 73.230000000000004 108.713 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 85.1 m -107.23 138.1 44.05 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.934 -0.479 . . . . 73.439999999999998 110.094 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 106.415 -1.698 . . . . 63.32 106.415 177.721 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.297 0.57 . . . . 73.299999999999997 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -122.3 154.63 37.35 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.512 -0.767 . . . . 74.409999999999997 109.356 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.465 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.0 p -126.84 110.15 12.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.52 -0.918 . . . . 75.310000000000002 108.52 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -80.62 5.45 15.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 70.409999999999997 111.501 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.625 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 4.8 ptm180 -69.55 -16.26 63.39 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 108.173 -1.047 . . . . 54.210000000000001 108.173 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.625 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 90.5 mt-30 -137.17 179.13 6.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 125.619 1.568 . . . . 72.319999999999993 106.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -91.16 -34.78 14.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.869 -1.16 . . . . 70.109999999999999 107.869 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.76 163.51 21.51 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.031 -1.44 . . . . 62.530000000000001 110.255 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.05 127.04 52.9 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.976 -1.491 . . . . 74.530000000000001 106.976 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.29 -1.986 0 N-CA-C 108.729 -0.841 . . . . 70.120000000000005 108.729 -177.392 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 108.987 -0.746 . . . . 62.450000000000003 108.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 72.8 m -134.01 168.51 18.67 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 122.777 0.431 . . . . 64.239999999999995 109.954 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.8 p -115.96 102.74 9.93 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.117 -0.697 . . . . 73.319999999999993 109.117 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -78.83 0.77 25.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.737 -0.665 . . . . 74.129999999999995 111.685 -172.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -74.34 -13.45 60.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 107.669 -1.234 . . . . 75.319999999999993 107.669 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -135.21 -163.41 1.38 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.0 1.72 . . . . 73.230000000000004 106.632 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -103.73 -12.12 17.18 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.744 -1.206 . . . . 73.099999999999994 107.744 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 tp -72.91 163.47 28.1 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.791 -1.549 . . . . 75.129999999999995 111.135 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 99.7 m -108.72 119.17 38.76 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.296 0.569 . . . . 73.299999999999997 109.756 173.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 57.4 m . . . . . 0 C--N 1.302 -1.498 0 N-CA-C 106.069 -1.826 . . . . 64.239999999999995 106.069 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.558 -0.534 . . . . 73.129999999999995 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.2 m -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.252 -1.018 . . . . 72.140000000000001 108.252 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.37 112.91 7.97 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 120.857 0.36 . . . . 73.439999999999998 110.924 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -60.26 -22.36 62.99 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.409 1.083 . . . . 65.140000000000001 110.295 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.96 -17.54 63.31 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.036 0.934 . . . . 71.219999999999999 111.31 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -132.36 -176.55 4.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.415 -0.357 . . . . 74.439999999999998 110.329 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.65 -45.08 6.19 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.226 -1.028 . . . . 63.32 108.226 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.81 163.85 27.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.688 -1.227 . . . . 42.039999999999999 107.688 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -105.24 119.73 39.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.711 0.767 . . . . 51.200000000000003 110.134 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.421 -1.901 0 CA-C-N 114.891 -1.05 . . . . 74.099999999999994 108.636 -179.747 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 121.37 0.605 . . . . 74.430000000000007 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.56 174.37 10.7 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.796 -1.187 . . . . 72.0 107.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 7.1 p -121.51 131.4 54.12 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.011 -0.676 . . . . 71.409999999999997 109.71 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.02 -21.47 65.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.853 0.835 . . . . 75.439999999999998 109.641 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -60.91 -37.23 81.53 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.987 1.315 . . . . 63.450000000000003 111.42 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -126.24 -178.55 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 64.430000000000007 111.376 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 tp -98.36 -22.21 16.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.513 -1.662 . . . . 75.019999999999996 106.513 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.99 165.41 24.09 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.499 -1.682 . . . . 72.049999999999997 108.142 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.4 m -106.42 125.68 51.3 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.596 -0.69 . . . . 70.420000000000002 110.357 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.9 m . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 105.911 -1.885 . . . . 71.439999999999998 105.911 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 120.926 0.393 . . . . 73.040000000000006 110.507 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.0 m -116.55 160.69 20.27 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.102 -0.703 . . . . 65.329999999999998 109.102 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -100.85 101.91 12.84 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 106.809 -1.552 . . . . 72.120000000000005 106.809 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.73 -13.98 62.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.807 -1.088 . . . . 71.010000000000005 112.242 -170.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 16.2 ptm180 -74.34 -5.15 40.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.504 0.669 . . . . 73.129999999999995 110.099 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.51 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 78.5 mt-30 -137.83 -172.05 3.15 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 125.253 1.421 . . . . 74.219999999999999 107.734 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -100.98 -36.29 9.07 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.885 -1.524 . . . . 61.25 106.885 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 9' ' ' CYS . 9.6 tt -64.44 159.45 21.35 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.415 -1.266 . . . . 41.32 109.967 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -107.63 119.14 38.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.641 -0.662 . . . . 72.030000000000001 110.811 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.423 -1.812 0 N-CA-C 108.074 -1.084 . . . . 73.519999999999996 108.074 179.656 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.645 ' HG2' ' H ' ' A' ' 2' ' ' CYS . 30.7 tt0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 106.822 -1.547 . . . . 44.420000000000002 106.822 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.645 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 93.3 m -112.25 155.8 23.44 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.668 -0.864 . . . . 65.040000000000006 108.668 175.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 12' ' ' ARG . 1.8 p -116.08 101.43 8.73 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 108.308 -0.997 . . . . 75.129999999999995 108.308 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -84.86 40.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 122.138 0.97 . . . . 74.530000000000001 111.118 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -97.25 -23.84 15.97 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.413 -2.44 . . . . 71.140000000000001 104.413 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -131.13 -178.19 4.72 Favored 'General case' 0 N--CA 1.421 -1.892 0 CA-C-N 113.165 -1.834 . . . . 71.310000000000002 107.538 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -89.84 -21.59 22.49 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.268 -1.382 . . . . 74.420000000000002 107.268 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.17 151.36 47.7 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.873 -1.512 . . . . 71.299999999999997 110.892 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.6 m -108.09 118.9 37.98 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 108.273 -1.01 . . . . 50.200000000000003 108.273 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -135.01 151.02 50.42 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 105.924 -1.88 . . . . 61.020000000000003 105.924 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.05 99.27 0.25 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.83 0.824 . . . . 52.520000000000003 111.874 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.2 tmm_? -103.85 114.54 28.87 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 104.548 -2.39 . . . . 75.200000000000003 104.548 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -78.61 102.87 8.2 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.147 -1.057 . . . . 75.140000000000001 108.147 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 15' ' ' NH2 . 7.4 p -64.17 -80.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 O-C-N 123.533 0.521 . . . . 65.010000000000005 112.062 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . 0.424 ' N ' HG13 ' A' ' 14' ' ' VAL . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.314 -0.866 . . . . 71.010000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 107.987 -1.116 . . . . 74.25 107.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.1 m -111.0 160.89 16.41 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.975 -0.75 . . . . 75.25 108.975 176.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 16.4 p -121.82 157.43 31.1 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 119.923 -0.711 . . . . 74.150000000000006 109.859 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -103.21 -0.06 30.96 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.967 -1.123 . . . . 75.420000000000002 107.967 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.79 -36.81 85.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.867 -1.06 . . . . 73.040000000000006 108.265 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -132.34 -172.96 3.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.355 -1.72 . . . . 74.409999999999997 106.355 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.41 -14.76 22.22 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.443 -1.688 . . . . 75.519999999999996 106.443 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.65 166.07 21.54 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 112.737 -2.029 . . . . 74.099999999999994 108.408 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 78.2 m -105.75 122.52 46.24 Favored 'General case' 0 C--N 1.285 -2.228 0 O-C-N 121.638 -0.664 . . . . 71.340000000000003 109.495 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.7 m -97.85 104.91 16.98 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 106.779 -1.563 . . . . 74.530000000000001 106.779 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.07 118.28 11.03 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 114.211 1.189 . . . . 54.340000000000003 114.211 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' HE ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -117.55 135.18 54.13 Favored 'General case' 0 N--CA 1.413 -2.283 0 N-CA-C 103.849 -2.648 . . . . 72.430000000000007 103.849 172.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -74.38 83.76 1.94 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.13 0.491 . . . . 71.120000000000005 110.675 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG22 ' HE ' ' A' ' 12' ' ' ARG . 45.3 t -72.22 -74.72 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-N 114.962 -1.017 . . . . 74.319999999999993 108.922 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.178 0 CA-C-N 116.345 -0.389 . . . . 75.209999999999994 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.244 0.809 0 N-CA-C 109.344 -0.613 . . . . 74.439999999999998 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.69 166.53 16.0 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.033 0.444 . . . . 72.329999999999998 111.236 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -114.23 102.51 10.2 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 105.899 -1.889 . . . . 73.299999999999997 105.899 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.91 3.84 11.2 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.617 0.599 . . . . 53.109999999999999 112.617 -171.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 2.5 tpm_? -62.35 -28.86 70.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.98 -1.119 . . . . 75.5 107.98 169.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -123.24 169.48 11.24 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.754 -0.832 . . . . 70.010000000000005 108.754 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.13 -40.05 28.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 105.632 -1.988 . . . . 52.340000000000003 105.632 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 9' ' ' CYS . 3.2 tm? -67.8 152.76 45.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.52 -1.218 . . . . 65.030000000000001 107.978 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' N ' HD13 ' A' ' 8' ' ' LEU . 88.4 m -106.75 143.54 34.7 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.632 0.73 . . . . 63.350000000000001 112.527 -173.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -97.95 104.69 16.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 104.688 -2.338 . . . . 75.310000000000002 104.688 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.89 98.42 3.0 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.393 0.616 . . . . 74.530000000000001 111.697 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HE ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -93.82 116.82 29.32 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 105.481 -2.044 . . . . 74.109999999999999 105.481 175.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -70.34 100.31 1.71 Allowed 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.515 -0.92 . . . . 74.409999999999997 108.515 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG22 ' HE ' ' A' ' 12' ' ' ARG . 60.0 t -70.58 110.33 3.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 CA-C-N 114.662 -1.154 . . . . 62.310000000000002 110.313 -176.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 CA-C-N 116.358 -0.383 . . . . 11.140000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 78.5 m -128.09 150.58 49.9 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.546 -0.538 . . . . 54.350000000000001 109.546 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.52 102.19 11.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.587 -0.894 . . . . 63.340000000000003 108.587 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.46 -11.7 53.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.49 -0.777 . . . . 71.129999999999995 112.583 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -62.77 -34.59 77.56 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.494 -0.928 . . . . 65.219999999999999 108.494 172.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -112.26 -166.29 1.07 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.906 -1.043 . . . . 75.239999999999995 108.458 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 tp -105.33 -12.16 16.17 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.218 -1.401 . . . . 73.049999999999997 107.218 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.7 163.88 18.93 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.997 -1.456 . . . . 75.140000000000001 110.347 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.3 m -107.84 120.94 43.67 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 107.39 -1.337 . . . . 54.32 107.39 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.9 m -96.97 111.5 23.69 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 109.739 -0.467 . . . . 71.310000000000002 109.739 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.0 tp -64.64 119.42 10.48 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-N 114.962 -1.017 . . . . 75.099999999999994 108.56 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.98 86.69 4.05 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 105.535 -2.024 . . . . 73.530000000000001 105.535 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -74.26 93.62 2.38 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.114 -0.948 . . . . 75.209999999999994 110.384 -173.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.98 98.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 N-CA-C 108.893 -0.78 . . . . 74.209999999999994 108.893 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 CA-C-N 116.504 -0.317 . . . . 35.420000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.777 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . 36.9 tt0 . . . . . 0 C--O 1.238 0.458 0 N-CA-C 109.814 -0.439 . . . . 75.439999999999998 109.814 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 65.3 m -106.54 143.72 34.24 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.036 -0.727 . . . . 74.329999999999998 109.036 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.65 110.02 22.47 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 108.834 -0.802 . . . . 63.109999999999999 108.834 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -76.76 3.08 12.58 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.626 0.727 . . . . 63.43 111.495 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -69.94 -25.93 63.88 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 107.54 -1.282 . . . . 72.109999999999999 107.54 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.68 -174.91 2.97 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 105.992 -1.855 . . . . 71.010000000000005 105.992 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.61 -10.1 18.69 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.071 -1.455 . . . . 73.150000000000006 107.071 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.0 tp -82.88 163.81 20.9 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 113.562 -1.654 . . . . 73.230000000000004 108.713 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 85.1 m -107.23 138.1 44.05 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.934 -0.479 . . . . 73.439999999999998 110.094 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -162.25 142.63 10.07 Favored 'General case' 0 N--CA 1.423 -1.816 0 N-CA-C 106.415 -1.698 . . . . 63.32 106.415 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.777 ' HG ' ' HB3' ' A' ' 1' ' ' GLU . 7.0 mp -83.99 112.65 20.37 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 106.395 -1.706 . . . . 75.219999999999999 106.395 174.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' CZ ' ' HA ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -92.62 114.32 26.84 Favored 'General case' 0 N--CA 1.413 -2.296 0 N-CA-C 108.714 -0.847 . . . . 75.230000000000004 108.714 -171.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -78.0 96.96 5.2 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 106.629 -1.619 . . . . 72.019999999999996 106.629 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 12' ' ' ARG . 81.0 t -57.27 -66.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 115.104 -0.953 . . . . 43.229999999999997 110.973 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 116.222 -0.445 . . . . 75.329999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.297 0.57 . . . . 73.299999999999997 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -122.3 154.63 37.35 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.512 -0.767 . . . . 74.409999999999997 109.356 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.465 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.0 p -126.84 110.15 12.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.52 -0.918 . . . . 75.310000000000002 108.52 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -80.62 5.45 15.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 70.409999999999997 111.501 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.625 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 4.8 ptm180 -69.55 -16.26 63.39 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 108.173 -1.047 . . . . 54.210000000000001 108.173 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.625 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 90.5 mt-30 -137.17 179.13 6.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 125.619 1.568 . . . . 72.319999999999993 106.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -91.16 -34.78 14.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.869 -1.16 . . . . 70.109999999999999 107.869 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.76 163.51 21.51 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.031 -1.44 . . . . 62.530000000000001 110.255 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.05 127.04 52.9 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.976 -1.491 . . . . 74.530000000000001 106.976 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.2 p -132.7 150.65 52.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.729 -0.841 . . . . 70.120000000000005 108.729 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -76.91 121.49 23.51 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 104.895 -2.261 . . . . 62.240000000000002 104.895 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-O 121.489 0.661 . . . . 70.030000000000001 111.419 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.07 85.51 6.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 108.397 -0.964 . . . . 64.099999999999994 108.397 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 p -67.36 105.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-N 114.599 -1.182 . . . . 41.130000000000003 110.105 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.606 0 CA-C-N 116.284 -0.416 . . . . 13.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.561 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . 9.5 tp10 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 108.987 -0.746 . . . . 62.450000000000003 108.987 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 72.8 m -134.01 168.51 18.67 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 122.777 0.431 . . . . 64.239999999999995 109.954 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.8 p -115.96 102.74 9.93 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.117 -0.697 . . . . 73.319999999999993 109.117 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -78.83 0.77 25.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.737 -0.665 . . . . 74.129999999999995 111.685 -172.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -74.34 -13.45 60.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 107.669 -1.234 . . . . 75.319999999999993 107.669 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -135.21 -163.41 1.38 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.0 1.72 . . . . 73.230000000000004 106.632 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -103.73 -12.12 17.18 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.744 -1.206 . . . . 73.099999999999994 107.744 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 tp -72.91 163.47 28.1 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.791 -1.549 . . . . 75.129999999999995 111.135 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 99.7 m -108.72 119.17 38.76 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.296 0.569 . . . . 73.299999999999997 109.756 173.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 57.4 m -117.99 120.8 38.91 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 106.069 -1.826 . . . . 64.239999999999995 106.069 178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' A' ' 1' ' ' GLU . 5.8 tt -105.82 121.85 44.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.125 -0.694 . . . . 63.439999999999998 109.125 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -114.3 129.93 56.65 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.251 -0.648 . . . . 73.239999999999995 109.251 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -101.67 87.02 3.05 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 107.944 -1.132 . . . . 72.040000000000006 107.944 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.27 96.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 CA-C-N 115.143 -0.935 . . . . 64.319999999999993 110.945 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.597 0 CA-C-N 116.136 -0.484 . . . . 53.100000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.787 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . 6.9 tp10 . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.558 -0.534 . . . . 73.129999999999995 109.558 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.2 m -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.252 -1.018 . . . . 72.140000000000001 108.252 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.37 112.91 7.97 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 120.857 0.36 . . . . 73.439999999999998 110.924 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -60.26 -22.36 62.99 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.409 1.083 . . . . 65.140000000000001 110.295 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.96 -17.54 63.31 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.036 0.934 . . . . 71.219999999999999 111.31 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -132.36 -176.55 4.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.415 -0.357 . . . . 74.439999999999998 110.329 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.65 -45.08 6.19 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.226 -1.028 . . . . 63.32 108.226 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.81 163.85 27.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.688 -1.227 . . . . 42.039999999999999 107.688 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -105.24 119.73 39.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.711 0.767 . . . . 51.200000000000003 110.134 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -114.17 132.73 55.99 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.891 -1.05 . . . . 74.099999999999994 108.636 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 6.7 mp -84.1 105.55 15.05 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.757 -0.46 . . . . 75.200000000000003 109.757 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -135.6 116.91 14.58 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.86 -0.609 . . . . 63.32 110.997 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -86.13 78.05 9.47 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.774 -0.825 . . . . 64.209999999999994 108.774 176.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.7 107.12 4.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.471 -0.786 . . . . 65.420000000000002 111.055 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.762 0 O-C-N 121.986 -0.446 . . . . 53.310000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 121.37 0.605 . . . . 74.430000000000007 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.56 174.37 10.7 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.796 -1.187 . . . . 72.0 107.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 7.1 p -121.51 131.4 54.12 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.011 -0.676 . . . . 71.409999999999997 109.71 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.02 -21.47 65.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.853 0.835 . . . . 75.439999999999998 109.641 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -60.91 -37.23 81.53 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.987 1.315 . . . . 63.450000000000003 111.42 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -126.24 -178.55 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 64.430000000000007 111.376 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 tp -98.36 -22.21 16.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.513 -1.662 . . . . 75.019999999999996 106.513 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.99 165.41 24.09 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.499 -1.682 . . . . 72.049999999999997 108.142 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.4 m -106.42 125.68 51.3 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.596 -0.69 . . . . 70.420000000000002 110.357 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.9 m -96.63 110.57 22.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 105.911 -1.885 . . . . 71.439999999999998 105.911 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -86.69 154.45 20.97 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.823 -1.081 . . . . 71.209999999999994 113.679 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.748 ' HE ' HG22 ' A' ' 14' ' ' VAL . 29.3 ttp180 -142.37 131.41 23.15 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 104.293 -2.484 . . . . 75.140000000000001 104.293 168.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -86.97 88.62 7.75 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.298 -1.371 . . . . 74.349999999999994 107.298 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG22 ' HE ' ' A' ' 12' ' ' ARG . 41.8 t -67.11 97.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 114.077 -1.42 . . . . 70.120000000000005 110.169 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.76 0 CA-C-N 116.206 -0.452 . . . . 45.409999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 120.926 0.393 . . . . 73.040000000000006 110.507 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.0 m -116.55 160.69 20.27 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.102 -0.703 . . . . 65.329999999999998 109.102 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -100.85 101.91 12.84 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 106.809 -1.552 . . . . 72.120000000000005 106.809 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.73 -13.98 62.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.807 -1.088 . . . . 71.010000000000005 112.242 -170.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 16.2 ptm180 -74.34 -5.15 40.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.504 0.669 . . . . 73.129999999999995 110.099 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.51 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 78.5 mt-30 -137.83 -172.05 3.15 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 125.253 1.421 . . . . 74.219999999999999 107.734 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -100.98 -36.29 9.07 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.885 -1.524 . . . . 61.25 106.885 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 9' ' ' CYS . 9.6 tt -64.44 159.45 21.35 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.415 -1.266 . . . . 41.32 109.967 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -107.63 119.14 38.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.641 -0.662 . . . . 72.030000000000001 110.811 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.75 103.59 15.56 Favored 'General case' 0 N--CA 1.423 -1.812 0 N-CA-C 108.074 -1.084 . . . . 73.519999999999996 108.074 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.668 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.9 pt? -110.27 163.48 13.6 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.14 -0.936 . . . . 75.439999999999998 110.235 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -130.34 135.41 48.04 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-N 115.932 -0.576 . . . . 71.329999999999998 110.586 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -92.81 74.17 4.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.643 -0.873 . . . . 70.150000000000006 108.643 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 p -91.11 -63.17 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 114.631 -1.168 . . . . 70.329999999999998 110.957 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 122.213 -0.304 . . . . 34.229999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.645 ' HG2' ' H ' ' A' ' 2' ' ' CYS . 30.7 tt0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 106.822 -1.547 . . . . 44.420000000000002 106.822 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.645 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 93.3 m -112.25 155.8 23.44 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.668 -0.864 . . . . 65.040000000000006 108.668 175.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.08 101.43 8.73 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 108.308 -0.997 . . . . 75.129999999999995 108.308 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -84.86 40.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 122.138 0.97 . . . . 74.530000000000001 111.118 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -97.25 -23.84 15.97 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.413 -2.44 . . . . 71.140000000000001 104.413 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -131.13 -178.19 4.72 Favored 'General case' 0 N--CA 1.421 -1.892 0 CA-C-N 113.165 -1.834 . . . . 71.310000000000002 107.538 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -89.84 -21.59 22.49 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.268 -1.382 . . . . 74.420000000000002 107.268 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.17 151.36 47.7 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.873 -1.512 . . . . 71.299999999999997 110.892 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.6 m -108.09 118.9 37.98 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 108.273 -1.01 . . . . 50.200000000000003 108.273 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.42 -1.953 0 N-CA-C 105.924 -1.88 . . . . 61.020000000000003 105.924 178.884 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 107.987 -1.116 . . . . 74.25 107.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.1 m -111.0 160.89 16.41 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.975 -0.75 . . . . 75.25 108.975 176.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 16.4 p -121.82 157.43 31.1 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 119.923 -0.711 . . . . 74.150000000000006 109.859 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -103.21 -0.06 30.96 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.967 -1.123 . . . . 75.420000000000002 107.967 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.79 -36.81 85.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.867 -1.06 . . . . 73.040000000000006 108.265 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -132.34 -172.96 3.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.355 -1.72 . . . . 74.409999999999997 106.355 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.41 -14.76 22.22 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.443 -1.688 . . . . 75.519999999999996 106.443 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.65 166.07 21.54 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 112.737 -2.029 . . . . 74.099999999999994 108.408 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 78.2 m -105.75 122.52 46.24 Favored 'General case' 0 C--N 1.285 -2.228 0 O-C-N 121.638 -0.664 . . . . 71.340000000000003 109.495 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.7 m . . . . . 0 N--CA 1.436 -1.133 0 N-CA-C 106.779 -1.563 . . . . 74.530000000000001 106.779 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.244 0.809 0 N-CA-C 109.344 -0.613 . . . . 74.439999999999998 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.69 166.53 16.0 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.033 0.444 . . . . 72.329999999999998 111.236 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -114.23 102.51 10.2 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 105.899 -1.889 . . . . 73.299999999999997 105.899 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.91 3.84 11.2 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.617 0.599 . . . . 53.109999999999999 112.617 -171.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 2.5 tpm_? -62.35 -28.86 70.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.98 -1.119 . . . . 75.5 107.98 169.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -123.24 169.48 11.24 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.754 -0.832 . . . . 70.010000000000005 108.754 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.13 -40.05 28.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 105.632 -1.988 . . . . 52.340000000000003 105.632 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 9' ' ' CYS . 3.2 tm? -67.8 152.76 45.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.52 -1.218 . . . . 65.030000000000001 107.978 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' N ' HD13 ' A' ' 8' ' ' LEU . 88.4 m -106.75 143.54 34.7 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.632 0.73 . . . . 63.350000000000001 112.527 -173.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.431 -1.401 0 N-CA-C 104.688 -2.338 . . . . 75.310000000000002 104.688 173.626 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 78.5 m -128.09 150.58 49.9 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.546 -0.538 . . . . 54.350000000000001 109.546 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.52 102.19 11.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.587 -0.894 . . . . 63.340000000000003 108.587 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.46 -11.7 53.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.49 -0.777 . . . . 71.129999999999995 112.583 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -62.77 -34.59 77.56 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.494 -0.928 . . . . 65.219999999999999 108.494 172.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -112.26 -166.29 1.07 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.906 -1.043 . . . . 75.239999999999995 108.458 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 tp -105.33 -12.16 16.17 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.218 -1.401 . . . . 73.049999999999997 107.218 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.7 163.88 18.93 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.997 -1.456 . . . . 75.140000000000001 110.347 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.3 m -107.84 120.94 43.67 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 107.39 -1.337 . . . . 54.32 107.39 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 N--CA 1.427 -1.591 0 N-CA-C 109.739 -0.467 . . . . 71.310000000000002 109.739 -174.593 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.238 0.458 0 N-CA-C 109.814 -0.439 . . . . 75.439999999999998 109.814 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 65.3 m -106.54 143.72 34.24 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.036 -0.727 . . . . 74.329999999999998 109.036 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.65 110.02 22.47 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 108.834 -0.802 . . . . 63.109999999999999 108.834 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -76.76 3.08 12.58 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.626 0.727 . . . . 63.43 111.495 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -69.94 -25.93 63.88 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 107.54 -1.282 . . . . 72.109999999999999 107.54 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.68 -174.91 2.97 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 105.992 -1.855 . . . . 71.010000000000005 105.992 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.61 -10.1 18.69 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.071 -1.455 . . . . 73.150000000000006 107.071 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.0 tp -82.88 163.81 20.9 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 113.562 -1.654 . . . . 73.230000000000004 108.713 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 85.1 m -107.23 138.1 44.05 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.934 -0.479 . . . . 73.439999999999998 110.094 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.423 -1.816 0 N-CA-C 106.415 -1.698 . . . . 63.32 106.415 177.721 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.297 0.57 . . . . 73.299999999999997 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -122.3 154.63 37.35 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.512 -0.767 . . . . 74.409999999999997 109.356 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.465 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.0 p -126.84 110.15 12.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.52 -0.918 . . . . 75.310000000000002 108.52 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -80.62 5.45 15.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 70.409999999999997 111.501 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.625 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 4.8 ptm180 -69.55 -16.26 63.39 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 108.173 -1.047 . . . . 54.210000000000001 108.173 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.625 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 17.1 mt-30 -137.17 179.13 6.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 125.619 1.568 . . . . 72.319999999999993 106.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -91.16 -34.78 14.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.869 -1.16 . . . . 70.109999999999999 107.869 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.76 163.51 21.51 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.031 -1.44 . . . . 62.530000000000001 110.255 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.05 127.04 52.9 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.976 -1.491 . . . . 74.530000000000001 106.976 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.29 -1.986 0 N-CA-C 108.729 -0.841 . . . . 70.120000000000005 108.729 -177.392 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 108.987 -0.746 . . . . 62.450000000000003 108.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 72.8 m -134.01 168.51 18.67 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 122.777 0.431 . . . . 64.239999999999995 109.954 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.8 p -115.96 102.74 9.93 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.117 -0.697 . . . . 73.319999999999993 109.117 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -78.83 0.77 25.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.737 -0.665 . . . . 74.129999999999995 111.685 -172.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -74.34 -13.45 60.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 107.669 -1.234 . . . . 75.319999999999993 107.669 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -135.21 -163.41 1.38 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.0 1.72 . . . . 73.230000000000004 106.632 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -103.73 -12.12 17.18 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.744 -1.206 . . . . 73.099999999999994 107.744 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 tp -72.91 163.47 28.1 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.791 -1.549 . . . . 75.129999999999995 111.135 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 99.7 m -108.72 119.17 38.76 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.296 0.569 . . . . 73.299999999999997 109.756 173.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 57.4 m . . . . . 0 C--N 1.302 -1.498 0 N-CA-C 106.069 -1.826 . . . . 64.239999999999995 106.069 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.558 -0.534 . . . . 73.129999999999995 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.2 m -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.252 -1.018 . . . . 72.140000000000001 108.252 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.37 112.91 7.97 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 120.857 0.36 . . . . 73.439999999999998 110.924 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -60.26 -22.36 62.99 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.409 1.083 . . . . 65.140000000000001 110.295 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.96 -17.54 63.31 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.036 0.934 . . . . 71.219999999999999 111.31 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -132.36 -176.55 4.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.415 -0.357 . . . . 74.439999999999998 110.329 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.65 -45.08 6.19 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.226 -1.028 . . . . 63.32 108.226 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.81 163.85 27.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.688 -1.227 . . . . 42.039999999999999 107.688 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -105.24 119.73 39.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.711 0.767 . . . . 51.200000000000003 110.134 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.421 -1.901 0 CA-C-N 114.891 -1.05 . . . . 74.099999999999994 108.636 -179.747 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 121.37 0.605 . . . . 74.430000000000007 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.56 174.37 10.7 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.796 -1.187 . . . . 72.0 107.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 7.1 p -121.51 131.4 54.12 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.011 -0.676 . . . . 71.409999999999997 109.71 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.02 -21.47 65.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.853 0.835 . . . . 75.439999999999998 109.641 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -60.91 -37.23 81.53 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.987 1.315 . . . . 63.450000000000003 111.42 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -126.24 -178.55 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 64.430000000000007 111.376 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 tp -98.36 -22.21 16.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.513 -1.662 . . . . 75.019999999999996 106.513 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.99 165.41 24.09 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.499 -1.682 . . . . 72.049999999999997 108.142 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.4 m -106.42 125.68 51.3 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.596 -0.69 . . . . 70.420000000000002 110.357 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.9 m . . . . . 0 N--CA 1.43 -1.468 0 N-CA-C 105.911 -1.885 . . . . 71.439999999999998 105.911 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 120.926 0.393 . . . . 73.040000000000006 110.507 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.0 m -116.55 160.69 20.27 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.102 -0.703 . . . . 65.329999999999998 109.102 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -100.85 101.91 12.84 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 106.809 -1.552 . . . . 72.120000000000005 106.809 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.73 -13.98 62.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.807 -1.088 . . . . 71.010000000000005 112.242 -170.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 16.2 ptm180 -74.34 -5.15 40.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.504 0.669 . . . . 73.129999999999995 110.099 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.51 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 26.8 mt-30 -137.83 -172.05 3.15 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 125.253 1.421 . . . . 74.219999999999999 107.734 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -100.98 -36.29 9.07 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.885 -1.524 . . . . 61.25 106.885 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 9' ' ' CYS . 9.6 tt -64.44 159.45 21.35 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.415 -1.266 . . . . 41.32 109.967 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -107.63 119.14 38.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.641 -0.662 . . . . 72.030000000000001 110.811 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.423 -1.812 0 N-CA-C 108.074 -1.084 . . . . 73.519999999999996 108.074 179.656 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.645 ' HG2' ' H ' ' A' ' 2' ' ' CYS . 30.7 tt0 . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 106.822 -1.547 . . . . 44.420000000000002 106.822 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.645 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 93.3 m -112.25 155.8 23.44 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 108.668 -0.864 . . . . 65.040000000000006 108.668 175.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 12' ' ' ARG . 1.8 p -116.08 101.43 8.73 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 108.308 -0.997 . . . . 75.129999999999995 108.308 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -84.86 40.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 122.138 0.97 . . . . 74.530000000000001 111.118 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -97.25 -23.84 15.97 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.413 -2.44 . . . . 71.140000000000001 104.413 168.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -131.13 -178.19 4.72 Favored 'General case' 0 N--CA 1.421 -1.892 0 CA-C-N 113.165 -1.834 . . . . 71.310000000000002 107.538 -176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -89.84 -21.59 22.49 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 107.268 -1.382 . . . . 74.420000000000002 107.268 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.17 151.36 47.7 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.873 -1.512 . . . . 71.299999999999997 110.892 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 83.6 m -108.09 118.9 37.98 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 108.273 -1.01 . . . . 50.200000000000003 108.273 171.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 p -135.01 151.02 50.42 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 105.924 -1.88 . . . . 61.020000000000003 105.924 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.05 99.27 0.25 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.83 0.824 . . . . 52.520000000000003 111.874 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 2.2 tmm_? -103.85 114.54 28.87 Favored 'General case' 0 N--CA 1.413 -2.286 0 N-CA-C 104.548 -2.39 . . . . 75.200000000000003 104.548 177.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -78.61 102.87 8.2 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.147 -1.057 . . . . 75.140000000000001 108.147 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 15' ' ' NH2 . 7.4 p -64.17 -80.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 O-C-N 123.533 0.521 . . . . 65.010000000000005 112.062 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . 0.424 ' N ' HG13 ' A' ' 14' ' ' VAL . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.314 -0.866 . . . . 71.010000000000005 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 107.987 -1.116 . . . . 74.25 107.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.1 m -111.0 160.89 16.41 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.975 -0.75 . . . . 75.25 108.975 176.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 16.4 p -121.82 157.43 31.1 Favored 'General case' 0 N--CA 1.425 -1.686 0 C-N-CA 119.923 -0.711 . . . . 74.150000000000006 109.859 -177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -103.21 -0.06 30.96 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.967 -1.123 . . . . 75.420000000000002 107.967 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.79 -36.81 85.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.867 -1.06 . . . . 73.040000000000006 108.265 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -132.34 -172.96 3.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 106.355 -1.72 . . . . 74.409999999999997 106.355 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.3 tp -96.41 -14.76 22.22 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.443 -1.688 . . . . 75.519999999999996 106.443 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.8 tp -70.65 166.07 21.54 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 112.737 -2.029 . . . . 74.099999999999994 108.408 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 78.2 m -105.75 122.52 46.24 Favored 'General case' 0 C--N 1.285 -2.228 0 O-C-N 121.638 -0.664 . . . . 71.340000000000003 109.495 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.7 m -97.85 104.91 16.98 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 106.779 -1.563 . . . . 74.530000000000001 106.779 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.07 118.28 11.03 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 114.211 1.189 . . . . 54.340000000000003 114.211 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' HE ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -117.55 135.18 54.13 Favored 'General case' 0 N--CA 1.413 -2.283 0 N-CA-C 103.849 -2.648 . . . . 72.430000000000007 103.849 172.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -74.38 83.76 1.94 Allowed 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.13 0.491 . . . . 71.120000000000005 110.675 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG22 ' HE ' ' A' ' 12' ' ' ARG . 45.3 t -72.22 -74.72 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-N 114.962 -1.017 . . . . 74.319999999999993 108.922 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.178 0 CA-C-N 116.345 -0.389 . . . . 75.209999999999994 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.244 0.809 0 N-CA-C 109.344 -0.613 . . . . 74.439999999999998 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.6 m -124.69 166.53 16.0 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.033 0.444 . . . . 72.329999999999998 111.236 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 p -114.23 102.51 10.2 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 105.899 -1.889 . . . . 73.299999999999997 105.899 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.91 3.84 11.2 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.617 0.599 . . . . 53.109999999999999 112.617 -171.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 2.5 tpm_? -62.35 -28.86 70.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.98 -1.119 . . . . 75.5 107.98 169.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -123.24 169.48 11.24 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.754 -0.832 . . . . 70.010000000000005 108.754 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.13 -40.05 28.2 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 105.632 -1.988 . . . . 52.340000000000003 105.632 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 9' ' ' CYS . 3.2 tm? -67.8 152.76 45.05 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.52 -1.218 . . . . 65.030000000000001 107.978 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' N ' HD13 ' A' ' 8' ' ' LEU . 88.4 m -106.75 143.54 34.7 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 121.632 0.73 . . . . 63.350000000000001 112.527 -173.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.6 m -97.95 104.69 16.75 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 104.688 -2.338 . . . . 75.310000000000002 104.688 173.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.89 98.42 3.0 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.393 0.616 . . . . 74.530000000000001 111.697 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HE ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -93.82 116.82 29.32 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 105.481 -2.044 . . . . 74.109999999999999 105.481 175.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -70.34 100.31 1.71 Allowed 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.515 -0.92 . . . . 74.409999999999997 108.515 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG22 ' HE ' ' A' ' 12' ' ' ARG . 60.0 t -70.58 110.33 3.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 CA-C-N 114.662 -1.154 . . . . 62.310000000000002 110.313 -176.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 CA-C-N 116.358 -0.383 . . . . 11.140000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 110.247 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 78.5 m -128.09 150.58 49.9 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.546 -0.538 . . . . 54.350000000000001 109.546 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -105.52 102.19 11.67 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 108.587 -0.894 . . . . 63.340000000000003 108.587 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.46 -11.7 53.44 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.49 -0.777 . . . . 71.129999999999995 112.583 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -62.77 -34.59 77.56 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.494 -0.928 . . . . 65.219999999999999 108.494 172.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -112.26 -166.29 1.07 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.906 -1.043 . . . . 75.239999999999995 108.458 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.2 tp -105.33 -12.16 16.17 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.218 -1.401 . . . . 73.049999999999997 107.218 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.7 163.88 18.93 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-N 113.997 -1.456 . . . . 75.140000000000001 110.347 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 71.3 m -107.84 120.94 43.67 Favored 'General case' 0 N--CA 1.412 -2.343 0 N-CA-C 107.39 -1.337 . . . . 54.32 107.39 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.9 m -96.97 111.5 23.69 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 109.739 -0.467 . . . . 71.310000000000002 109.739 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.0 tp -64.64 119.42 10.48 Favored 'General case' 0 CA--C 1.495 -1.147 0 CA-C-N 114.962 -1.017 . . . . 75.099999999999994 108.56 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.98 86.69 4.05 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 105.535 -2.024 . . . . 73.530000000000001 105.535 177.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -74.26 93.62 2.38 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.114 -0.948 . . . . 75.209999999999994 110.384 -173.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.98 98.4 2.77 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 N-CA-C 108.893 -0.78 . . . . 74.209999999999994 108.893 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 CA-C-N 116.504 -0.317 . . . . 35.420000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.777 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . 36.9 tt0 . . . . . 0 C--O 1.238 0.458 0 N-CA-C 109.814 -0.439 . . . . 75.439999999999998 109.814 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 65.3 m -106.54 143.72 34.24 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 109.036 -0.727 . . . . 74.329999999999998 109.036 174.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.65 110.02 22.47 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 108.834 -0.802 . . . . 63.109999999999999 108.834 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -76.76 3.08 12.58 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.626 0.727 . . . . 63.43 111.495 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -69.94 -25.93 63.88 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 107.54 -1.282 . . . . 72.109999999999999 107.54 169.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.68 -174.91 2.97 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 105.992 -1.855 . . . . 71.010000000000005 105.992 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 tp -103.61 -10.1 18.69 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.071 -1.455 . . . . 73.150000000000006 107.071 172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.0 tp -82.88 163.81 20.9 Favored 'General case' 0 N--CA 1.422 -1.846 0 CA-C-N 113.562 -1.654 . . . . 73.230000000000004 108.713 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 85.1 m -107.23 138.1 44.05 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.934 -0.479 . . . . 73.439999999999998 110.094 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 p -162.25 142.63 10.07 Favored 'General case' 0 N--CA 1.423 -1.816 0 N-CA-C 106.415 -1.698 . . . . 63.32 106.415 177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.777 ' HG ' ' HB3' ' A' ' 1' ' ' GLU . 7.0 mp -83.99 112.65 20.37 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 106.395 -1.706 . . . . 75.219999999999999 106.395 174.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.405 ' CZ ' ' HA ' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -92.62 114.32 26.84 Favored 'General case' 0 N--CA 1.413 -2.296 0 N-CA-C 108.714 -0.847 . . . . 75.230000000000004 108.714 -171.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -78.0 96.96 5.2 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 106.629 -1.619 . . . . 72.019999999999996 106.629 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HA ' ' CZ ' ' A' ' 12' ' ' ARG . 81.0 t -57.27 -66.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 115.104 -0.953 . . . . 43.229999999999997 110.973 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 116.222 -0.445 . . . . 75.329999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.237 0.442 0 CA-C-O 121.297 0.57 . . . . 73.299999999999997 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.6 m -122.3 154.63 37.35 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.512 -0.767 . . . . 74.409999999999997 109.356 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.465 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 5.0 p -126.84 110.15 12.75 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.52 -0.918 . . . . 75.310000000000002 108.52 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -80.62 5.45 15.48 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.724 0.773 . . . . 70.409999999999997 111.501 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.625 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 4.8 ptm180 -69.55 -16.26 63.39 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 108.173 -1.047 . . . . 54.210000000000001 108.173 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.625 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 17.1 mt-30 -137.17 179.13 6.57 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 125.619 1.568 . . . . 72.319999999999993 106.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -91.16 -34.78 14.89 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 107.869 -1.16 . . . . 70.109999999999999 107.869 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 tp -67.76 163.51 21.51 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.031 -1.44 . . . . 62.530000000000001 110.255 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.05 127.04 52.9 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.976 -1.491 . . . . 74.530000000000001 106.976 174.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.2 p -132.7 150.65 52.13 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.729 -0.841 . . . . 70.120000000000005 108.729 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -76.91 121.49 23.51 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 104.895 -2.261 . . . . 62.240000000000002 104.895 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -105.11 110.94 23.52 Favored 'General case' 0 C--N 1.28 -2.446 0 CA-C-O 121.489 0.661 . . . . 70.030000000000001 111.419 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.07 85.51 6.33 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 108.397 -0.964 . . . . 64.099999999999994 108.397 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 p -67.36 105.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.239 0 CA-C-N 114.599 -1.182 . . . . 41.130000000000003 110.105 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.606 0 CA-C-N 116.284 -0.416 . . . . 13.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.561 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . 9.5 tp10 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 108.987 -0.746 . . . . 62.450000000000003 108.987 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 72.8 m -134.01 168.51 18.67 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 122.777 0.431 . . . . 64.239999999999995 109.954 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 3.8 p -115.96 102.74 9.93 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 109.117 -0.697 . . . . 73.319999999999993 109.117 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -78.83 0.77 25.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.737 -0.665 . . . . 74.129999999999995 111.685 -172.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -74.34 -13.45 60.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 107.669 -1.234 . . . . 75.319999999999993 107.669 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -135.21 -163.41 1.38 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.0 1.72 . . . . 73.230000000000004 106.632 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -103.73 -12.12 17.18 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.744 -1.206 . . . . 73.099999999999994 107.744 173.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 tp -72.91 163.47 28.1 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.791 -1.549 . . . . 75.129999999999995 111.135 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 99.7 m -108.72 119.17 38.76 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.296 0.569 . . . . 73.299999999999997 109.756 173.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 57.4 m -117.99 120.8 38.91 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 106.069 -1.826 . . . . 64.239999999999995 106.069 178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' A' ' 1' ' ' GLU . 5.8 tt -105.82 121.85 44.9 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 109.125 -0.694 . . . . 63.439999999999998 109.125 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -114.3 129.93 56.65 Favored 'General case' 0 N--CA 1.42 -1.968 0 N-CA-C 109.251 -0.648 . . . . 73.239999999999995 109.251 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -101.67 87.02 3.05 Favored 'General case' 0 N--CA 1.417 -2.112 0 N-CA-C 107.944 -1.132 . . . . 72.040000000000006 107.944 176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.27 96.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 CA-C-N 115.143 -0.935 . . . . 64.319999999999993 110.945 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.597 0 CA-C-N 116.136 -0.484 . . . . 53.100000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.787 ' HB3' ' HA ' ' A' ' 11' ' ' LEU . 6.9 tp10 . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.558 -0.534 . . . . 73.129999999999995 109.558 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 91.2 m -128.2 177.89 6.61 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 108.252 -1.018 . . . . 72.140000000000001 108.252 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.37 112.91 7.97 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-O 120.857 0.36 . . . . 73.439999999999998 110.924 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -60.26 -22.36 62.99 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 124.409 1.083 . . . . 65.140000000000001 110.295 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -69.96 -17.54 63.31 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 124.036 0.934 . . . . 71.219999999999999 111.31 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -132.36 -176.55 4.12 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.415 -0.357 . . . . 74.439999999999998 110.329 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 tp -98.65 -45.08 6.19 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.226 -1.028 . . . . 63.32 108.226 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.81 163.85 27.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.688 -1.227 . . . . 42.039999999999999 107.688 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.9 m -105.24 119.73 39.78 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.711 0.767 . . . . 51.200000000000003 110.134 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -114.17 132.73 55.99 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.891 -1.05 . . . . 74.099999999999994 108.636 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 6.7 mp -84.1 105.55 15.05 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.757 -0.46 . . . . 75.200000000000003 109.757 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -135.6 116.91 14.58 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.86 -0.609 . . . . 63.32 110.997 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -86.13 78.05 9.47 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.774 -0.825 . . . . 64.209999999999994 108.774 176.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.7 107.12 4.06 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-N 115.471 -0.786 . . . . 65.420000000000002 111.055 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.762 0 O-C-N 121.986 -0.446 . . . . 53.310000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 N--CA 1.444 -0.754 0 CA-C-O 121.37 0.605 . . . . 74.430000000000007 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.56 174.37 10.7 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.796 -1.187 . . . . 72.0 107.796 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 7.1 p -121.51 131.4 54.12 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.011 -0.676 . . . . 71.409999999999997 109.71 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.02 -21.47 65.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.853 0.835 . . . . 75.439999999999998 109.641 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -60.91 -37.23 81.53 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.987 1.315 . . . . 63.450000000000003 111.42 176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -126.24 -178.55 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.412 0.625 . . . . 64.430000000000007 111.376 -172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.2 tp -98.36 -22.21 16.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.513 -1.662 . . . . 75.019999999999996 106.513 174.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.1 tp -77.99 165.41 24.09 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 113.499 -1.682 . . . . 72.049999999999997 108.142 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.4 m -106.42 125.68 51.3 Favored 'General case' 0 C--N 1.288 -2.103 0 O-C-N 121.596 -0.69 . . . . 70.420000000000002 110.357 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 63.9 m -96.63 110.57 22.97 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 105.911 -1.885 . . . . 71.439999999999998 105.911 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -86.69 154.45 20.97 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 114.823 -1.081 . . . . 71.209999999999994 113.679 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.748 ' HE ' HG22 ' A' ' 14' ' ' VAL . 29.3 ttp180 -142.37 131.41 23.15 Favored 'General case' 0 N--CA 1.42 -1.954 0 N-CA-C 104.293 -2.484 . . . . 75.140000000000001 104.293 168.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -86.97 88.62 7.75 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.298 -1.371 . . . . 74.349999999999994 107.298 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG22 ' HE ' ' A' ' 12' ' ' ARG . 41.8 t -67.11 97.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 114.077 -1.42 . . . . 70.120000000000005 110.169 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.76 0 CA-C-N 116.206 -0.452 . . . . 45.409999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 120.926 0.393 . . . . 73.040000000000006 110.507 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 85.0 m -116.55 160.69 20.27 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.102 -0.703 . . . . 65.329999999999998 109.102 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -100.85 101.91 12.84 Favored 'General case' 0 N--CA 1.422 -1.826 0 N-CA-C 106.809 -1.552 . . . . 72.120000000000005 106.809 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -66.73 -13.98 62.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.807 -1.088 . . . . 71.010000000000005 112.242 -170.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.51 ' HG3' ' HG3' ' A' ' 6' ' ' GLN . 16.2 ptm180 -74.34 -5.15 40.6 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.504 0.669 . . . . 73.129999999999995 110.099 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.51 ' HG3' ' HG3' ' A' ' 5' ' ' ARG . 26.8 mt-30 -137.83 -172.05 3.15 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 125.253 1.421 . . . . 74.219999999999999 107.734 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -100.98 -36.29 9.07 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.885 -1.524 . . . . 61.25 106.885 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 9' ' ' CYS . 9.6 tt -64.44 159.45 21.35 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 114.415 -1.266 . . . . 41.32 109.967 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.3 m -107.63 119.14 38.59 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.641 -0.662 . . . . 72.030000000000001 110.811 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.75 103.59 15.56 Favored 'General case' 0 N--CA 1.423 -1.812 0 N-CA-C 108.074 -1.084 . . . . 73.519999999999996 108.074 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.668 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.9 pt? -110.27 163.48 13.6 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.14 -0.936 . . . . 75.439999999999998 110.235 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -130.34 135.41 48.04 Favored 'General case' 0 N--CA 1.417 -2.095 0 CA-C-N 115.932 -0.576 . . . . 71.329999999999998 110.586 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -92.81 74.17 4.91 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.643 -0.873 . . . . 70.150000000000006 108.643 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 p -91.11 -63.17 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 114.631 -1.168 . . . . 70.329999999999998 110.957 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 122.213 -0.304 . . . . 34.229999999999997 . . . . . . . . . . 0 0 . 1 stop_ save_