data_2b5q_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 2b5q _Structure_validation_residue.Date_analyzed 2016-10-07 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 full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 CA--C 1.57 1.739 0 CA-C-O 122.256 1.027 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.7 t -106.87 -99.03 0.35 Allowed 'General case' 0 CA--C 1.567 1.627 0 O-C-N 120.74 -1.225 . . . . 0.0 109.064 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.91 128.62 48.22 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 120.136 1.334 . . . . 0.0 110.681 161.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.79 -88.65 0.95 Allowed Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.866 -1.146 . . . . 0.0 114.47 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.263 34.2 t80 -107.79 -140.24 0.38 Allowed 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 163.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -82.31 35.51 0.45 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 119.125 -2.234 . . . . 0.0 115.96 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -118.03 117.03 28.1 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 124.865 1.266 . . . . 0.0 109.12 -166.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.38 57.4 4.47 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.66 127.46 32.2 Favored 'General case' 0 CA--C 1.58 2.101 0 C-N-CA 124.314 1.045 . . . . 0.0 111.189 161.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 125.392 2.52 . . . . 0.0 114.813 -165.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 120.945 0.402 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.72 -72.17 0.65 Allowed 'General case' 0 CA--C 1.568 1.664 0 O-C-N 121.131 -0.98 . . . . 0.0 112.086 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.3 t -125.01 121.18 33.65 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-N 119.294 0.952 . . . . 0.0 109.299 155.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.73 -90.83 1.46 Allowed Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.314 -0.866 . . . . 0.0 114.027 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -100.67 -144.82 0.34 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 159.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -85.07 48.65 1.6 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 119.364 -2.085 . . . . 0.0 113.823 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -120.83 108.11 13.53 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.599 1.16 . . . . 0.0 108.178 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.8 m -82.92 82.58 8.13 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 122.843 1.306 . . . . 0.0 112.9 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.83 151.92 38.1 Favored 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.173 1.389 . . . . 0.0 111.399 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 123.244 1.497 . . . . 0.0 113.044 177.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.351 0.596 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 t -91.29 -67.29 0.86 Allowed 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.803 -1.185 . . . . 0.0 112.732 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 t -126.18 109.49 12.39 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.372 0.987 . . . . 0.0 109.852 159.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.22 -93.78 1.73 Allowed Glycine 0 N--CA 1.489 2.228 0 O-C-N 121.35 -0.844 . . . . 0.0 113.731 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -92.68 -151.33 0.29 Allowed 'General case' 0 CA--C 1.58 2.104 0 CA-C-O 121.649 0.738 . . . . 0.0 110.719 160.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -85.53 49.45 1.76 Allowed 'General case' 0 CA--C 1.575 1.908 0 O-C-N 119.21 -2.182 . . . . 0.0 114.617 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.45 113.33 19.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.5 1.12 . . . . 0.0 109.173 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.5 m -82.26 92.92 7.01 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-O 122.669 1.223 . . . . 0.0 113.25 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -134.08 144.72 48.78 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 124.696 1.198 . . . . 0.0 111.167 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 124.531 2.11 . . . . 0.0 113.723 -173.204 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.302 0.572 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.1 t -93.44 -61.88 1.47 Allowed 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.114 -0.991 . . . . 0.0 112.87 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.83 119.11 12.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.682 -1.261 . . . . 0.0 109.861 158.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.39 -82.26 1.28 Allowed Glycine 0 N--CA 1.489 2.228 0 O-C-N 121.75 -0.594 . . . . 0.0 113.549 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.282 60.6 t80 -113.06 -127.09 0.28 Allowed 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 123.332 0.653 . . . . 0.0 109.331 167.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.16 -0.22 57.5 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 117.502 2.408 . . . . 0.0 117.502 -171.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -87.63 126.9 35.22 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 120.29 -1.506 . . . . 0.0 112.565 -175.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.72 100.55 10.96 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 122.364 1.078 . . . . 0.0 113.894 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -141.56 140.61 33.43 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 124.643 1.177 . . . . 0.0 110.735 173.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 100.0 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 124.821 2.248 . . . . 0.0 114.298 -168.6 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.158 0.504 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.8 -80.98 0.12 Allowed 'General case' 0 CA--C 1.568 1.642 0 O-C-N 120.89 -1.131 . . . . 0.0 111.752 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.4 t -121.3 113.52 20.04 Favored 'General case' 0 CA--C 1.56 1.359 0 O-C-N 120.92 -1.112 . . . . 0.0 109.96 157.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.01 -74.21 2.51 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 115.273 0.869 . . . . 0.0 115.273 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.264 57.9 t80 -124.45 -109.96 0.32 Allowed 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 123.447 0.699 . . . . 0.0 109.262 174.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.43 -21.66 16.45 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.558 2.059 . . . . 0.0 116.558 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.97 134.64 36.27 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 112.475 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.9 91.06 7.24 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 120.943 -1.098 . . . . 0.0 112.867 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.16 148.22 28.12 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.607 -1.308 . . . . 0.0 111.148 173.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 124.848 2.261 . . . . 0.0 114.427 -163.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -122.69 -94.85 0.49 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.164 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.76 120.13 40.44 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 120.774 1.625 . . . . 0.0 110.409 167.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.82 -79.36 1.13 Allowed Glycine 0 N--CA 1.489 2.229 0 O-C-N 120.907 -1.12 . . . . 0.0 114.909 -172.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.285 36.8 t80 -119.54 -120.55 0.3 Allowed 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 123.975 0.91 . . . . 0.0 109.294 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -81.88 -24.85 35.49 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.08 128.62 33.71 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.674 1.19 . . . . 0.0 113.173 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.6 m -82.72 78.07 9.38 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.1 m80 -75.1 155.24 37.33 Favored 'General case' 0 CA--C 1.583 2.217 0 O-C-N 121.179 -0.951 . . . . 0.0 112.321 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 69.7 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 124.346 2.022 . . . . 0.0 114.203 -163.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -135.28 -109.8 0.21 Allowed 'General case' 0 CA--C 1.572 1.816 0 O-C-N 120.789 -1.194 . . . . 0.0 111.583 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.6 t -92.62 112.98 25.12 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 121.119 1.781 . . . . 0.0 110.838 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.43 -89.59 1.12 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.128 -0.982 . . . . 0.0 114.768 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -107.06 -99.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.01 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -103.06 -41.22 6.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -172.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.54 135.18 40.61 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 119.511 1.051 . . . . 0.0 112.924 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.64 81.21 4.97 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 122.734 1.254 . . . . 0.0 113.043 174.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 6.4 m80 -71.47 146.39 48.62 Favored 'General case' 0 CA--C 1.579 2.092 0 O-C-N 121.008 -1.058 . . . . 0.0 110.951 170.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 86.6 m . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.813 2.244 . . . . 0.0 112.141 -167.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.352 0.596 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.31 -118.15 0.26 Allowed 'General case' 0 CA--C 1.571 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 111.382 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.4 t -84.8 98.82 10.5 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 121.187 1.812 . . . . 0.0 111.862 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 -99.75 2.59 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 121.694 -0.629 . . . . 0.0 113.688 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.27 29.8 t80 -93.21 -102.43 0.13 Allowed 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 117.772 -1.109 . . . . 0.0 111.403 169.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -106.48 -32.36 8.13 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.387 2.366 . . . . 0.0 117.387 -170.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.82 131.99 42.1 Favored 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 120.492 1.496 . . . . 0.0 112.711 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -81.37 86.37 6.29 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 122.742 1.258 . . . . 0.0 112.839 173.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 15.3 m80 -78.59 159.62 28.01 Favored 'General case' 0 CA--C 1.578 2.036 0 C-N-CA 123.563 0.745 . . . . 0.0 112.414 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 90.9 m . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 124.544 2.116 . . . . 0.0 111.96 -172.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.036 0.446 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 t -138.35 -106.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.565 -1.335 . . . . 0.0 111.096 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -100.53 117.06 33.91 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 120.786 1.63 . . . . 0.0 111.092 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.79 -83.2 1.54 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 -173.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -114.84 -90.39 0.54 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.901 0.88 . . . . 0.0 109.082 169.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -108.71 -36.06 6.26 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -74.25 138.2 43.48 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 120.314 1.415 . . . . 0.0 114.368 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -88.17 71.54 9.22 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -67.85 161.71 25.7 Favored 'General case' 0 CA--C 1.581 2.163 0 O-C-N 120.621 -1.299 . . . . 0.0 112.449 172.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 125.541 2.591 . . . . 0.0 114.873 -169.427 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.24 -114.64 0.22 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.735 -1.228 . . . . 0.0 111.277 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.87 122.87 30.54 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 121.595 1.998 . . . . 0.0 111.836 170.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.3 -69.81 2.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 116.189 1.235 . . . . 0.0 116.189 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -126.49 -84.97 0.62 Allowed 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.588 0.755 . . . . 0.0 109.521 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -120.09 -34.46 3.69 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.5 127.62 33.4 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 120.276 1.398 . . . . 0.0 114.17 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.0 m -79.9 63.57 4.48 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 122.507 1.146 . . . . 0.0 113.689 161.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.8 144.06 29.54 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 120.264 -1.522 . . . . 0.0 111.929 161.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 124.99 2.329 . . . . 0.0 116.031 -172.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.418 0.628 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.251 11.0 t -107.52 -104.3 0.35 Allowed 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.797 -1.189 . . . . 0.0 111.504 -169.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -94.73 128.74 41.65 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 121.737 2.062 . . . . 0.0 111.586 163.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.27 -102.29 1.57 Allowed Glycine 0 N--CA 1.488 2.129 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.446 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -96.11 -112.26 0.13 Allowed 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 117.403 0.602 . . . . 0.0 110.023 163.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -94.27 -1.53 53.81 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.93 122.78 32.64 Favored 'General case' 0 CA--C 1.563 1.48 0 O-C-N 120.698 -1.251 . . . . 0.0 111.944 -171.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -79.3 43.92 0.56 Allowed 'General case' 0 CA--C 1.58 2.116 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 135.26 48.11 Favored 'General case' 0 CA--C 1.58 2.107 0 O-C-N 119.848 -1.783 . . . . 0.0 113.08 167.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 124.59 2.138 . . . . 0.0 113.866 -165.065 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.06 -85.98 0.15 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.128 -0.983 . . . . 0.0 111.374 -166.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -119.5 110.61 17.1 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 120.117 1.326 . . . . 0.0 111.633 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.34 -81.7 1.37 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 120.788 -1.195 . . . . 0.0 112.937 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.281 34.6 t80 -119.09 -108.12 0.36 Allowed 'General case' 0 CA--C 1.567 1.625 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.091 160.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -98.82 -29.4 13.0 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 -167.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.95 137.82 57.98 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 121.524 1.965 . . . . 0.0 113.397 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.5 m -83.54 127.65 33.9 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 122.115 0.96 . . . . 0.0 111.842 163.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.2 150.1 25.13 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 124.323 1.049 . . . . 0.0 110.161 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 124.789 2.233 . . . . 0.0 114.439 -165.627 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.672 0.748 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 1.6 t -125.56 -128.07 0.24 Allowed 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.714 0.806 . . . . 0.0 110.389 -169.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.29 98.85 11.57 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 121.384 1.902 . . . . 0.0 113.152 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -81.68 0.29 Allowed Glycine 0 N--CA 1.495 2.567 0 O-C-N 120.846 -1.159 . . . . 0.0 113.732 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.256 7.9 t80 -123.25 -90.62 0.57 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.301 163.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.13 -32.93 5.85 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -172.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.85 128.42 36.42 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 121.216 1.826 . . . . 0.0 113.65 175.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.4 m -84.23 127.11 33.74 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -155.88 152.4 28.27 Favored 'General case' 0 CA--C 1.584 2.253 0 C-N-CA 124.12 0.968 . . . . 0.0 111.778 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 124.746 2.212 . . . . 0.0 115.15 -174.729 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.495 1.81 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.0 t -122.74 -81.5 0.64 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 124.047 0.939 . . . . 0.0 110.77 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 t -118.75 134.73 54.93 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.653 1.115 . . . . 0.0 110.468 159.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.35 -88.7 0.51 Allowed Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.227 -0.921 . . . . 0.0 114.811 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.252 63.4 t80 -104.11 -113.1 0.24 Allowed 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 159.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.75 -7.73 22.33 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -173.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.04 128.76 36.4 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 120.393 -1.442 . . . . 0.0 112.264 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.7 m -82.66 57.92 3.99 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 168.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 131.01 36.77 Favored 'General case' 0 CA--C 1.582 2.182 0 O-C-N 120.19 -1.568 . . . . 0.0 111.055 163.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.592 2.139 . . . . 0.0 114.109 -165.169 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.685 0.755 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.4 t -101.07 -63.18 1.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.281 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.4 t -136.1 115.93 13.1 Favored 'General case' 0 CA--C 1.563 1.477 0 O-C-N 120.972 -1.08 . . . . 0.0 110.614 161.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.23 -82.11 1.58 Allowed Glycine 0 N--CA 1.491 2.348 0 O-C-N 121.407 -0.808 . . . . 0.0 115.058 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.288 50.3 t80 -109.62 -142.12 0.38 Allowed 'General case' 0 CA--C 1.58 2.132 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 163.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -82.47 45.61 0.98 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 119.0 -2.312 . . . . 0.0 115.31 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -126.34 104.44 8.18 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.06 -1.025 . . . . 0.0 110.597 -157.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.2 m -83.3 57.2 3.87 Favored 'General case' 0 CA--C 1.576 1.971 0 O-C-N 120.602 -1.311 . . . . 0.0 114.023 171.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.64 146.65 29.95 Favored 'General case' 0 CA--C 1.575 1.932 0 O-C-N 120.246 -1.534 . . . . 0.0 111.62 157.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 123.123 1.44 . . . . 0.0 112.656 179.273 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 CA--C 1.57 1.739 0 CA-C-O 122.256 1.027 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.7 t -106.87 -99.03 0.35 Allowed 'General case' 0 CA--C 1.567 1.627 0 O-C-N 120.74 -1.225 . . . . 0.0 109.064 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.91 128.62 48.22 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 120.136 1.334 . . . . 0.0 110.681 161.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.79 -88.65 0.95 Allowed Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.866 -1.146 . . . . 0.0 114.47 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.263 34.2 t80 -107.79 -140.24 0.38 Allowed 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 163.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -82.31 35.51 0.45 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 119.125 -2.234 . . . . 0.0 115.96 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -118.03 117.03 28.1 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 124.865 1.266 . . . . 0.0 109.12 -166.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.38 57.4 4.47 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.66 127.46 32.2 Favored 'General case' 0 CA--C 1.58 2.101 0 C-N-CA 124.314 1.045 . . . . 0.0 111.189 161.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 125.392 2.52 . . . . 0.0 114.813 -165.842 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 120.945 0.402 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.72 -72.17 0.65 Allowed 'General case' 0 CA--C 1.568 1.664 0 O-C-N 121.131 -0.98 . . . . 0.0 112.086 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.3 t -125.01 121.18 33.65 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-N 119.294 0.952 . . . . 0.0 109.299 155.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.73 -90.83 1.46 Allowed Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.314 -0.866 . . . . 0.0 114.027 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -100.67 -144.82 0.34 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 159.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -85.07 48.65 1.6 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 119.364 -2.085 . . . . 0.0 113.823 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -120.83 108.11 13.53 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.599 1.16 . . . . 0.0 108.178 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.8 m -82.92 82.58 8.13 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 122.843 1.306 . . . . 0.0 112.9 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.83 151.92 38.1 Favored 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.173 1.389 . . . . 0.0 111.399 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 123.244 1.497 . . . . 0.0 113.044 177.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.351 0.596 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 t -91.29 -67.29 0.86 Allowed 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.803 -1.185 . . . . 0.0 112.732 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 t -126.18 109.49 12.39 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.372 0.987 . . . . 0.0 109.852 159.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.22 -93.78 1.73 Allowed Glycine 0 N--CA 1.489 2.228 0 O-C-N 121.35 -0.844 . . . . 0.0 113.731 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -92.68 -151.33 0.29 Allowed 'General case' 0 CA--C 1.58 2.104 0 CA-C-O 121.649 0.738 . . . . 0.0 110.719 160.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -85.53 49.45 1.76 Allowed 'General case' 0 CA--C 1.575 1.908 0 O-C-N 119.21 -2.182 . . . . 0.0 114.617 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.45 113.33 19.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.5 1.12 . . . . 0.0 109.173 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.5 m -82.26 92.92 7.01 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-O 122.669 1.223 . . . . 0.0 113.25 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -134.08 144.72 48.78 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 124.696 1.198 . . . . 0.0 111.167 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 124.531 2.11 . . . . 0.0 113.723 -173.204 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.302 0.572 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.1 t -93.44 -61.88 1.47 Allowed 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.114 -0.991 . . . . 0.0 112.87 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.83 119.11 12.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.682 -1.261 . . . . 0.0 109.861 158.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.39 -82.26 1.28 Allowed Glycine 0 N--CA 1.489 2.228 0 O-C-N 121.75 -0.594 . . . . 0.0 113.549 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.282 60.6 t80 -113.06 -127.09 0.28 Allowed 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 123.332 0.653 . . . . 0.0 109.331 167.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.16 -0.22 57.5 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 117.502 2.408 . . . . 0.0 117.502 -171.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -87.63 126.9 35.22 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 120.29 -1.506 . . . . 0.0 112.565 -175.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.72 100.55 10.96 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 122.364 1.078 . . . . 0.0 113.894 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -141.56 140.61 33.43 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 124.643 1.177 . . . . 0.0 110.735 173.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 100.0 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 124.821 2.248 . . . . 0.0 114.298 -168.6 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.158 0.504 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.8 -80.98 0.12 Allowed 'General case' 0 CA--C 1.568 1.642 0 O-C-N 120.89 -1.131 . . . . 0.0 111.752 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.4 t -121.3 113.52 20.04 Favored 'General case' 0 CA--C 1.56 1.359 0 O-C-N 120.92 -1.112 . . . . 0.0 109.96 157.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.01 -74.21 2.51 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 115.273 0.869 . . . . 0.0 115.273 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.264 57.9 t80 -124.45 -109.96 0.32 Allowed 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 123.447 0.699 . . . . 0.0 109.262 174.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.43 -21.66 16.45 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.558 2.059 . . . . 0.0 116.558 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.97 134.64 36.27 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 112.475 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.9 91.06 7.24 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 120.943 -1.098 . . . . 0.0 112.867 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.16 148.22 28.12 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.607 -1.308 . . . . 0.0 111.148 173.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 124.848 2.261 . . . . 0.0 114.427 -163.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -122.69 -94.85 0.49 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.164 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.76 120.13 40.44 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 120.774 1.625 . . . . 0.0 110.409 167.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.82 -79.36 1.13 Allowed Glycine 0 N--CA 1.489 2.229 0 O-C-N 120.907 -1.12 . . . . 0.0 114.909 -172.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.285 36.8 t80 -119.54 -120.55 0.3 Allowed 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 123.975 0.91 . . . . 0.0 109.294 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -81.88 -24.85 35.49 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.08 128.62 33.71 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.674 1.19 . . . . 0.0 113.173 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.6 m -82.72 78.07 9.38 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.1 m80 -75.1 155.24 37.33 Favored 'General case' 0 CA--C 1.583 2.217 0 O-C-N 121.179 -0.951 . . . . 0.0 112.321 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 69.7 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 124.346 2.022 . . . . 0.0 114.203 -163.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -135.28 -109.8 0.21 Allowed 'General case' 0 CA--C 1.572 1.816 0 O-C-N 120.789 -1.194 . . . . 0.0 111.583 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.6 t -92.62 112.98 25.12 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 121.119 1.781 . . . . 0.0 110.838 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.43 -89.59 1.12 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.128 -0.982 . . . . 0.0 114.768 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -107.06 -99.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.01 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -103.06 -41.22 6.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -172.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.54 135.18 40.61 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 119.511 1.051 . . . . 0.0 112.924 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.64 81.21 4.97 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 122.734 1.254 . . . . 0.0 113.043 174.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 6.4 m80 -71.47 146.39 48.62 Favored 'General case' 0 CA--C 1.579 2.092 0 O-C-N 121.008 -1.058 . . . . 0.0 110.951 170.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 86.6 m . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.813 2.244 . . . . 0.0 112.141 -167.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.352 0.596 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.31 -118.15 0.26 Allowed 'General case' 0 CA--C 1.571 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 111.382 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.4 t -84.8 98.82 10.5 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 121.187 1.812 . . . . 0.0 111.862 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 -99.75 2.59 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 121.694 -0.629 . . . . 0.0 113.688 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.27 29.8 t80 -93.21 -102.43 0.13 Allowed 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 117.772 -1.109 . . . . 0.0 111.403 169.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -106.48 -32.36 8.13 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.387 2.366 . . . . 0.0 117.387 -170.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.82 131.99 42.1 Favored 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 120.492 1.496 . . . . 0.0 112.711 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -81.37 86.37 6.29 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 122.742 1.258 . . . . 0.0 112.839 173.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.501 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 15.3 m80 -78.59 159.62 28.01 Favored 'General case' 0 CA--C 1.578 2.036 0 C-N-CA 123.563 0.745 . . . . 0.0 112.414 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 90.9 m . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 124.544 2.116 . . . . 0.0 111.96 -172.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.036 0.446 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 t -138.35 -106.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.565 -1.335 . . . . 0.0 111.096 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -100.53 117.06 33.91 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 120.786 1.63 . . . . 0.0 111.092 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.79 -83.2 1.54 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 -173.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -114.84 -90.39 0.54 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.901 0.88 . . . . 0.0 109.082 169.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -108.71 -36.06 6.26 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -74.25 138.2 43.48 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 120.314 1.415 . . . . 0.0 114.368 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -88.17 71.54 9.22 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -67.85 161.71 25.7 Favored 'General case' 0 CA--C 1.581 2.163 0 O-C-N 120.621 -1.299 . . . . 0.0 112.449 172.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 125.541 2.591 . . . . 0.0 114.873 -169.427 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.24 -114.64 0.22 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.735 -1.228 . . . . 0.0 111.277 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.87 122.87 30.54 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 121.595 1.998 . . . . 0.0 111.836 170.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.3 -69.81 2.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 116.189 1.235 . . . . 0.0 116.189 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -126.49 -84.97 0.62 Allowed 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.588 0.755 . . . . 0.0 109.521 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -120.09 -34.46 3.69 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.5 127.62 33.4 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 120.276 1.398 . . . . 0.0 114.17 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.0 m -79.9 63.57 4.48 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 122.507 1.146 . . . . 0.0 113.689 161.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.8 144.06 29.54 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 120.264 -1.522 . . . . 0.0 111.929 161.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 124.99 2.329 . . . . 0.0 116.031 -172.924 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.418 0.628 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.251 11.0 t -107.52 -104.3 0.35 Allowed 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.797 -1.189 . . . . 0.0 111.504 -169.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -94.73 128.74 41.65 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 121.737 2.062 . . . . 0.0 111.586 163.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.27 -102.29 1.57 Allowed Glycine 0 N--CA 1.488 2.129 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.446 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -96.11 -112.26 0.13 Allowed 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 117.403 0.602 . . . . 0.0 110.023 163.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -94.27 -1.53 53.81 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.93 122.78 32.64 Favored 'General case' 0 CA--C 1.563 1.48 0 O-C-N 120.698 -1.251 . . . . 0.0 111.944 -171.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -79.3 43.92 0.56 Allowed 'General case' 0 CA--C 1.58 2.116 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 135.26 48.11 Favored 'General case' 0 CA--C 1.58 2.107 0 O-C-N 119.848 -1.783 . . . . 0.0 113.08 167.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 124.59 2.138 . . . . 0.0 113.866 -165.065 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.06 -85.98 0.15 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.128 -0.983 . . . . 0.0 111.374 -166.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -119.5 110.61 17.1 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 120.117 1.326 . . . . 0.0 111.633 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.34 -81.7 1.37 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 120.788 -1.195 . . . . 0.0 112.937 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.281 34.6 t80 -119.09 -108.12 0.36 Allowed 'General case' 0 CA--C 1.567 1.625 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.091 160.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -98.82 -29.4 13.0 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 -167.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.95 137.82 57.98 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 121.524 1.965 . . . . 0.0 113.397 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.5 m -83.54 127.65 33.9 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 122.115 0.96 . . . . 0.0 111.842 163.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.2 150.1 25.13 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 124.323 1.049 . . . . 0.0 110.161 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 124.789 2.233 . . . . 0.0 114.439 -165.627 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.672 0.748 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 1.6 t -125.56 -128.07 0.24 Allowed 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.714 0.806 . . . . 0.0 110.389 -169.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.29 98.85 11.57 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 121.384 1.902 . . . . 0.0 113.152 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -81.68 0.29 Allowed Glycine 0 N--CA 1.495 2.567 0 O-C-N 120.846 -1.159 . . . . 0.0 113.732 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.256 7.9 t80 -123.25 -90.62 0.57 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.301 163.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.13 -32.93 5.85 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -172.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.85 128.42 36.42 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 121.216 1.826 . . . . 0.0 113.65 175.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.4 m -84.23 127.11 33.74 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -155.88 152.4 28.27 Favored 'General case' 0 CA--C 1.584 2.253 0 C-N-CA 124.12 0.968 . . . . 0.0 111.778 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 124.746 2.212 . . . . 0.0 115.15 -174.729 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.495 1.81 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.0 t -122.74 -81.5 0.64 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 124.047 0.939 . . . . 0.0 110.77 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 t -118.75 134.73 54.93 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.653 1.115 . . . . 0.0 110.468 159.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.35 -88.7 0.51 Allowed Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.227 -0.921 . . . . 0.0 114.811 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.252 63.4 t80 -104.11 -113.1 0.24 Allowed 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 159.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.75 -7.73 22.33 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -173.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.04 128.76 36.4 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 120.393 -1.442 . . . . 0.0 112.264 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.7 m -82.66 57.92 3.99 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 168.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 131.01 36.77 Favored 'General case' 0 CA--C 1.582 2.182 0 O-C-N 120.19 -1.568 . . . . 0.0 111.055 163.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.592 2.139 . . . . 0.0 114.109 -165.169 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.685 0.755 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.4 t -101.07 -63.18 1.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.281 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.4 t -136.1 115.93 13.1 Favored 'General case' 0 CA--C 1.563 1.477 0 O-C-N 120.972 -1.08 . . . . 0.0 110.614 161.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.23 -82.11 1.58 Allowed Glycine 0 N--CA 1.491 2.348 0 O-C-N 121.407 -0.808 . . . . 0.0 115.058 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.288 50.3 t80 -109.62 -142.12 0.38 Allowed 'General case' 0 CA--C 1.58 2.132 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 163.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -82.47 45.61 0.98 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 119.0 -2.312 . . . . 0.0 115.31 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -126.34 104.44 8.18 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.06 -1.025 . . . . 0.0 110.597 -157.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.2 m -83.3 57.2 3.87 Favored 'General case' 0 CA--C 1.576 1.971 0 O-C-N 120.602 -1.311 . . . . 0.0 114.023 171.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.64 146.65 29.95 Favored 'General case' 0 CA--C 1.575 1.932 0 O-C-N 120.246 -1.534 . . . . 0.0 111.62 157.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 123.123 1.44 . . . . 0.0 112.656 179.273 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 CA--C 1.57 1.739 0 CA-C-O 122.256 1.027 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.7 t -106.87 -99.03 0.35 Allowed 'General case' 0 CA--C 1.567 1.627 0 O-C-N 120.74 -1.225 . . . . 0.0 109.064 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.7 t -101.91 128.62 48.22 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-N 120.136 1.334 . . . . 0.0 110.681 161.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.79 -88.65 0.95 Allowed Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.866 -1.146 . . . . 0.0 114.47 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.263 34.2 t80 -107.79 -140.24 0.38 Allowed 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 163.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -82.31 35.51 0.45 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 119.125 -2.234 . . . . 0.0 115.96 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -118.03 117.03 28.1 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 124.865 1.266 . . . . 0.0 109.12 -166.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.8 m -86.38 57.4 4.47 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.66 127.46 32.2 Favored 'General case' 0 CA--C 1.58 2.101 0 C-N-CA 124.314 1.045 . . . . 0.0 111.189 161.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 125.392 2.52 . . . . 0.0 114.813 -165.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 120.945 0.402 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.72 -72.17 0.65 Allowed 'General case' 0 CA--C 1.568 1.664 0 O-C-N 121.131 -0.98 . . . . 0.0 112.086 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.3 t -125.01 121.18 33.65 Favored 'General case' 0 CA--C 1.568 1.639 0 CA-C-N 119.294 0.952 . . . . 0.0 109.299 155.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.73 -90.83 1.46 Allowed Glycine 0 N--CA 1.492 2.395 0 O-C-N 121.314 -0.866 . . . . 0.0 114.027 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -100.67 -144.82 0.34 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 159.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -85.07 48.65 1.6 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 119.364 -2.085 . . . . 0.0 113.823 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -120.83 108.11 13.53 Favored 'General case' 0 CA--C 1.562 1.422 0 C-N-CA 124.599 1.16 . . . . 0.0 108.178 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.8 m -82.92 82.58 8.13 Favored 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 122.843 1.306 . . . . 0.0 112.9 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.83 151.92 38.1 Favored 'General case' 0 CA--C 1.579 2.092 0 C-N-CA 125.173 1.389 . . . . 0.0 111.399 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 123.244 1.497 . . . . 0.0 113.044 177.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.351 0.596 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 t -91.29 -67.29 0.86 Allowed 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.803 -1.185 . . . . 0.0 112.732 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 t -126.18 109.49 12.39 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.372 0.987 . . . . 0.0 109.852 159.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.22 -93.78 1.73 Allowed Glycine 0 N--CA 1.489 2.228 0 O-C-N 121.35 -0.844 . . . . 0.0 113.731 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -92.68 -151.33 0.29 Allowed 'General case' 0 CA--C 1.58 2.104 0 CA-C-O 121.649 0.738 . . . . 0.0 110.719 160.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -85.53 49.45 1.76 Allowed 'General case' 0 CA--C 1.575 1.908 0 O-C-N 119.21 -2.182 . . . . 0.0 114.617 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mp -122.45 113.33 19.19 Favored 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 124.5 1.12 . . . . 0.0 109.173 -174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.5 m -82.26 92.92 7.01 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-O 122.669 1.223 . . . . 0.0 113.25 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -134.08 144.72 48.78 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 124.696 1.198 . . . . 0.0 111.167 173.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 124.531 2.11 . . . . 0.0 113.723 -173.204 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.302 0.572 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.1 t -93.44 -61.88 1.47 Allowed 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.114 -0.991 . . . . 0.0 112.87 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -139.83 119.11 12.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.682 -1.261 . . . . 0.0 109.861 158.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.39 -82.26 1.28 Allowed Glycine 0 N--CA 1.489 2.228 0 O-C-N 121.75 -0.594 . . . . 0.0 113.549 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.282 60.6 t80 -113.06 -127.09 0.28 Allowed 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 123.332 0.653 . . . . 0.0 109.331 167.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.16 -0.22 57.5 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 117.502 2.408 . . . . 0.0 117.502 -171.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -87.63 126.9 35.22 Favored 'General case' 0 CA--C 1.566 1.582 0 O-C-N 120.29 -1.506 . . . . 0.0 112.565 -175.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.72 100.55 10.96 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 122.364 1.078 . . . . 0.0 113.894 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -141.56 140.61 33.43 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 124.643 1.177 . . . . 0.0 110.735 173.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 100.0 m . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 124.821 2.248 . . . . 0.0 114.298 -168.6 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.158 0.504 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -79.8 -80.98 0.12 Allowed 'General case' 0 CA--C 1.568 1.642 0 O-C-N 120.89 -1.131 . . . . 0.0 111.752 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.4 t -121.3 113.52 20.04 Favored 'General case' 0 CA--C 1.56 1.359 0 O-C-N 120.92 -1.112 . . . . 0.0 109.96 157.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.01 -74.21 2.51 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 115.273 0.869 . . . . 0.0 115.273 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.264 57.9 t80 -124.45 -109.96 0.32 Allowed 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 123.447 0.699 . . . . 0.0 109.262 174.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.43 -21.66 16.45 Favored 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.558 2.059 . . . . 0.0 116.558 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.97 134.64 36.27 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 120.95 -1.094 . . . . 0.0 112.475 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.9 91.06 7.24 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 120.943 -1.098 . . . . 0.0 112.867 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.16 148.22 28.12 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.607 -1.308 . . . . 0.0 111.148 173.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 124.848 2.261 . . . . 0.0 114.427 -163.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -122.69 -94.85 0.49 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.164 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.76 120.13 40.44 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-N 120.774 1.625 . . . . 0.0 110.409 167.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.82 -79.36 1.13 Allowed Glycine 0 N--CA 1.489 2.229 0 O-C-N 120.907 -1.12 . . . . 0.0 114.909 -172.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.285 36.8 t80 -119.54 -120.55 0.3 Allowed 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 123.975 0.91 . . . . 0.0 109.294 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -81.88 -24.85 35.49 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.08 128.62 33.71 Favored 'General case' 0 CA--C 1.568 1.668 0 C-N-CA 124.674 1.19 . . . . 0.0 113.173 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.6 m -82.72 78.07 9.38 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.1 m80 -75.1 155.24 37.33 Favored 'General case' 0 CA--C 1.583 2.217 0 O-C-N 121.179 -0.951 . . . . 0.0 112.321 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 69.7 m . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 124.346 2.022 . . . . 0.0 114.203 -163.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -135.28 -109.8 0.21 Allowed 'General case' 0 CA--C 1.572 1.816 0 O-C-N 120.789 -1.194 . . . . 0.0 111.583 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.6 t -92.62 112.98 25.12 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 121.119 1.781 . . . . 0.0 110.838 171.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.43 -89.59 1.12 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.128 -0.982 . . . . 0.0 114.768 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -107.06 -99.67 0.35 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.01 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -103.06 -41.22 6.17 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 -172.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.54 135.18 40.61 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 119.511 1.051 . . . . 0.0 112.924 -172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.9 m -78.64 81.21 4.97 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 122.734 1.254 . . . . 0.0 113.043 174.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 6.4 m80 -71.47 146.39 48.62 Favored 'General case' 0 CA--C 1.579 2.092 0 O-C-N 121.008 -1.058 . . . . 0.0 110.951 170.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 86.6 m . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 124.813 2.244 . . . . 0.0 112.141 -167.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.352 0.596 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.6 t -127.31 -118.15 0.26 Allowed 'General case' 0 CA--C 1.571 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 111.382 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.4 t -84.8 98.82 10.5 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 121.187 1.812 . . . . 0.0 111.862 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.04 -99.75 2.59 Favored Glycine 0 N--CA 1.491 2.36 0 O-C-N 121.694 -0.629 . . . . 0.0 113.688 -171.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.27 29.8 t80 -93.21 -102.43 0.13 Allowed 'General case' 0 CA--C 1.568 1.639 0 CA-C-O 117.772 -1.109 . . . . 0.0 111.403 169.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -106.48 -32.36 8.13 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.387 2.366 . . . . 0.0 117.387 -170.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -73.82 131.99 42.1 Favored 'General case' 0 CA--C 1.566 1.572 0 CA-C-N 120.492 1.496 . . . . 0.0 112.711 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.7 m -81.37 86.37 6.29 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 122.742 1.258 . . . . 0.0 112.839 173.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.501 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 15.3 m80 -78.59 159.62 28.01 Favored 'General case' 0 CA--C 1.578 2.036 0 C-N-CA 123.563 0.745 . . . . 0.0 112.414 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 9' ' ' HIS . 90.9 m . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 124.544 2.116 . . . . 0.0 111.96 -172.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.036 0.446 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.9 t -138.35 -106.08 0.18 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.565 -1.335 . . . . 0.0 111.096 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 t -100.53 117.06 33.91 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-N 120.786 1.63 . . . . 0.0 111.092 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.79 -83.2 1.54 Allowed Glycine 0 N--CA 1.495 2.6 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 -173.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -114.84 -90.39 0.54 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 123.901 0.88 . . . . 0.0 109.082 169.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -108.71 -36.06 6.26 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -171.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -74.25 138.2 43.48 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 120.314 1.415 . . . . 0.0 114.368 -170.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -88.17 71.54 9.22 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -67.85 161.71 25.7 Favored 'General case' 0 CA--C 1.581 2.163 0 O-C-N 120.621 -1.299 . . . . 0.0 112.449 172.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 125.541 2.591 . . . . 0.0 114.873 -169.427 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.24 -114.64 0.22 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.735 -1.228 . . . . 0.0 111.277 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.87 122.87 30.54 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 121.595 1.998 . . . . 0.0 111.836 170.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.3 -69.81 2.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 116.189 1.235 . . . . 0.0 116.189 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -126.49 -84.97 0.62 Allowed 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 123.588 0.755 . . . . 0.0 109.521 168.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -120.09 -34.46 3.69 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -170.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -67.5 127.62 33.4 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 120.276 1.398 . . . . 0.0 114.17 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.0 m -79.9 63.57 4.48 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 122.507 1.146 . . . . 0.0 113.689 161.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.8 144.06 29.54 Favored 'General case' 0 CA--C 1.581 2.157 0 O-C-N 120.264 -1.522 . . . . 0.0 111.929 161.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 124.99 2.329 . . . . 0.0 116.031 -172.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.418 0.628 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.251 11.0 t -107.52 -104.3 0.35 Allowed 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.797 -1.189 . . . . 0.0 111.504 -169.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -94.73 128.74 41.65 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 121.737 2.062 . . . . 0.0 111.586 163.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.27 -102.29 1.57 Allowed Glycine 0 N--CA 1.488 2.129 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.446 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -96.11 -112.26 0.13 Allowed 'General case' 0 CA--C 1.571 1.752 0 CA-C-N 117.403 0.602 . . . . 0.0 110.023 163.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -94.27 -1.53 53.81 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -88.93 122.78 32.64 Favored 'General case' 0 CA--C 1.563 1.48 0 O-C-N 120.698 -1.251 . . . . 0.0 111.944 -171.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.2 m -79.3 43.92 0.56 Allowed 'General case' 0 CA--C 1.58 2.116 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 166.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 135.26 48.11 Favored 'General case' 0 CA--C 1.58 2.107 0 O-C-N 119.848 -1.783 . . . . 0.0 113.08 167.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 124.59 2.138 . . . . 0.0 113.866 -165.065 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.3 t -143.06 -85.98 0.15 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.128 -0.983 . . . . 0.0 111.374 -166.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -119.5 110.61 17.1 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 120.117 1.326 . . . . 0.0 111.633 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.34 -81.7 1.37 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 120.788 -1.195 . . . . 0.0 112.937 -178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.281 34.6 t80 -119.09 -108.12 0.36 Allowed 'General case' 0 CA--C 1.567 1.625 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.091 160.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -98.82 -29.4 13.0 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 -167.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.95 137.82 57.98 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 121.524 1.965 . . . . 0.0 113.397 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.5 m -83.54 127.65 33.9 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 122.115 0.96 . . . . 0.0 111.842 163.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.2 150.1 25.13 Favored 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 124.323 1.049 . . . . 0.0 110.161 175.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.2 m . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 124.789 2.233 . . . . 0.0 114.439 -165.627 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.672 0.748 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.259 1.6 t -125.56 -128.07 0.24 Allowed 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 123.714 0.806 . . . . 0.0 110.389 -169.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.1 t -87.29 98.85 11.57 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 121.384 1.902 . . . . 0.0 113.152 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -81.68 0.29 Allowed Glycine 0 N--CA 1.495 2.567 0 O-C-N 120.846 -1.159 . . . . 0.0 113.732 -176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.256 7.9 t80 -123.25 -90.62 0.57 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.301 163.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -114.13 -32.93 5.85 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -172.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.85 128.42 36.42 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-N 121.216 1.826 . . . . 0.0 113.65 175.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.4 m -84.23 127.11 33.74 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -155.88 152.4 28.27 Favored 'General case' 0 CA--C 1.584 2.253 0 C-N-CA 124.12 0.968 . . . . 0.0 111.778 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 124.746 2.212 . . . . 0.0 115.15 -174.729 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.495 1.81 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.0 t -122.74 -81.5 0.64 Allowed 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 124.047 0.939 . . . . 0.0 110.77 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 t -118.75 134.73 54.93 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.653 1.115 . . . . 0.0 110.468 159.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.35 -88.7 0.51 Allowed Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.227 -0.921 . . . . 0.0 114.811 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.252 63.4 t80 -104.11 -113.1 0.24 Allowed 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 159.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.75 -7.73 22.33 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -173.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.04 128.76 36.4 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 120.393 -1.442 . . . . 0.0 112.264 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.7 m -82.66 57.92 3.99 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 168.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 131.01 36.77 Favored 'General case' 0 CA--C 1.582 2.182 0 O-C-N 120.19 -1.568 . . . . 0.0 111.055 163.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.592 2.139 . . . . 0.0 114.109 -165.169 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.685 0.755 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.4 t -101.07 -63.18 1.16 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.922 -1.111 . . . . 0.0 112.281 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.4 t -136.1 115.93 13.1 Favored 'General case' 0 CA--C 1.563 1.477 0 O-C-N 120.972 -1.08 . . . . 0.0 110.614 161.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.23 -82.11 1.58 Allowed Glycine 0 N--CA 1.491 2.348 0 O-C-N 121.407 -0.808 . . . . 0.0 115.058 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . 0.288 50.3 t80 -109.62 -142.12 0.38 Allowed 'General case' 0 CA--C 1.58 2.132 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 163.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -82.47 45.61 0.98 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 119.0 -2.312 . . . . 0.0 115.31 -175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.4 mt -126.34 104.44 8.18 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.06 -1.025 . . . . 0.0 110.597 -157.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.2 m -83.3 57.2 3.87 Favored 'General case' 0 CA--C 1.576 1.971 0 O-C-N 120.602 -1.311 . . . . 0.0 114.023 171.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.64 146.65 29.95 Favored 'General case' 0 CA--C 1.575 1.932 0 O-C-N 120.246 -1.534 . . . . 0.0 111.62 157.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 123.123 1.44 . . . . 0.0 112.656 179.273 . . . . . . . . 0 0 . 1 stop_ save_