data_2ru2_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 2ru2 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 CA--C 1.504 -0.819 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -88.79 -33.88 17.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.5 mt -87.86 129.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.17 -2.26 43.96 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.2 54.33 4.95 Favored Glycine 0 C--N 1.305 -1.165 0 N-CA-C 107.85 -2.1 . . . . 0.0 107.85 169.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.0 t -171.48 119.76 0.47 Allowed 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -174.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -104.79 145.65 30.07 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.353 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.18 117.12 6.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -110.82 86.27 2.28 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 CA-C-N 116.462 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -88.84 -48.56 7.39 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mt -73.67 131.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -73.18 -16.54 61.43 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.664 0.745 . . . . 0.0 111.691 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.88 57.22 4.95 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.275 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t -148.96 115.47 5.89 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 m -84.75 147.27 26.96 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.384 0.611 . . . . 0.0 110.777 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.3 tp -127.96 132.6 49.2 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -145.81 78.3 1.53 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.319 0.581 . . . . 0.0 109.631 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -89.38 -16.34 31.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.87 136.76 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -73.48 -28.4 61.91 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.477 0.656 . . . . 0.0 111.931 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.04 69.5 3.33 Favored Glycine 0 C--N 1.281 -2.481 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.2 t -151.63 108.76 3.56 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -80.08 112.34 17.3 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.74 112.1 4.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 -176.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 m -108.15 91.0 3.47 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.499 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 116.576 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.58 -41.15 12.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 pt -81.67 155.45 4.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -20.7 45.64 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.274 0.559 . . . . 0.0 111.697 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.06 45.52 3.53 Favored Glycine 0 C--N 1.292 -1.897 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.816 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.0 t -161.36 116.69 2.09 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -131.44 139.09 49.31 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.71 149.62 21.05 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.751 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 m -150.67 89.84 1.59 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 116.504 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -91.37 -36.77 13.63 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.434 HG21 ' H ' ' A' ' 5' ' ' GLY . 58.3 mt -78.12 134.51 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.83 -6.89 58.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.335 0.588 . . . . 0.0 112.585 -174.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.434 ' H ' HG21 ' A' ' 3' ' ' ILE . . . -83.71 53.69 4.88 Favored Glycine 0 C--N 1.293 -1.808 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 174.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.16 114.6 11.01 Favored 'General case' 0 N--CA 1.416 -2.172 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -119.77 162.04 19.74 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.54 95.49 6.28 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.4 m -142.4 98.42 3.3 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.362 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 116.378 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 CA--C 1.514 -0.442 0 CA-C-O 120.748 0.308 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -94.9 -30.96 13.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.481 HG23 ' H ' ' A' ' 5' ' ' GLY . 52.8 mt -83.4 135.33 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -75.27 -13.62 60.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.153 0.977 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.481 ' H ' HG23 ' A' ' 3' ' ' ILE . . . -83.14 43.14 3.08 Favored Glycine 0 C--N 1.297 -1.616 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.771 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -149.7 113.36 5.03 Favored 'General case' 0 N--CA 1.419 -1.981 0 C-N-CA 124.26 1.024 . . . . 0.0 108.488 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 p -127.37 141.53 51.67 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.53 134.25 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 m -148.85 84.34 1.46 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.085 0.469 . . . . 0.0 109.802 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.3 m . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -88.92 -30.86 18.52 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.689 0.757 . . . . 0.0 109.028 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.36 144.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -76.5 -1.1 25.56 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.069 0.461 . . . . 0.0 112.217 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.61 51.37 4.33 Favored Glycine 0 C--N 1.306 -1.138 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.2 t -179.27 133.08 0.12 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -100.77 141.8 33.13 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -85.1 130.07 34.68 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.624 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -83.02 -89.3 0.09 Allowed 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.03 -36.26 15.9 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -88.73 137.48 21.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -77.59 -25.52 50.02 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.454 0.645 . . . . 0.0 110.88 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.25 62.57 4.55 Favored Glycine 0 C--N 1.292 -1.893 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.5 t -142.63 146.76 34.83 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 132.58 35.97 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-O 121.69 0.757 . . . . 0.0 109.091 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -95.28 131.82 40.95 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.978 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -111.4 98.71 7.67 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 CA-C-N 116.279 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 8' ' ' LEU . 89.6 m . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.993 0.425 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -91.03 -37.18 13.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -90.83 155.38 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.78 -19.8 61.96 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.606 0.717 . . . . 0.0 111.664 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.15 49.02 4.04 Favored Glycine 0 C--N 1.296 -1.673 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -157.53 100.07 1.77 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.0 p -107.06 99.96 9.48 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.783 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' HB2' ' SG ' ' A' ' 1' ' ' CYS . 5.0 tt -84.62 94.74 8.68 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -82.88 79.63 9.2 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.657 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 CA-C-N 115.987 -0.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -89.8 -31.59 17.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.8 pt -62.88 145.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.345 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' A' ' 6' ' ' CYS . 30.8 mm-40 -82.71 -12.03 57.88 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 121.505 0.669 . . . . 0.0 110.927 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.48 40.72 2.76 Favored Glycine 0 C--N 1.311 -0.826 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.023 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.405 ' H ' ' C ' ' A' ' 4' ' ' GLN . 41.6 t -173.98 83.71 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 p -83.67 120.01 25.47 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.605 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.17 111.57 2.28 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.07 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -98.9 -77.81 0.51 Allowed 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.767 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.797 0 O-C-N 122.237 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 CA--C 1.517 -0.315 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -89.05 -32.01 17.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.861 0.839 . . . . 0.0 109.106 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 mt -92.94 131.43 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -72.72 -16.21 61.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.315 1.055 . . . . 0.0 110.976 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.28 59.98 4.88 Favored Glycine 0 C--N 1.293 -1.839 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 171.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -156.7 95.55 1.55 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -91.82 171.01 9.43 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.453 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -150.7 150.87 31.62 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -71.53 100.18 2.2 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 120.985 0.422 . . . . 0.0 110.366 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.956 0 CA-C-N 116.42 -0.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -89.18 -28.66 19.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.23 131.05 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 171.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -82.24 -22.73 35.71 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 122.005 0.907 . . . . 0.0 109.925 -173.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.17 61.04 4.78 Favored Glycine 0 C--N 1.293 -1.825 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.846 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -135.05 160.18 39.14 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 p -127.62 152.18 47.99 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.3 tp -76.94 105.68 8.16 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.512 0.508 . . . . 0.0 109.928 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m 59.39 81.06 0.18 Allowed 'General case' 0 C--O 1.246 0.908 0 O-C-N 124.187 0.93 . . . . 0.0 111.535 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 115.999 -0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -125.22 4.82 7.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.38 0.61 . . . . 0.0 109.659 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.402 HG21 ' H ' ' A' ' 5' ' ' GLY . 62.8 mt -117.26 148.97 19.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 176.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -74.8 -5.65 44.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 122.04 0.924 . . . . 0.0 111.354 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' H ' HG21 ' A' ' 3' ' ' ILE . . . -84.29 47.05 3.77 Favored Glycine 0 C--N 1.309 -0.97 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.884 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.2 t -150.2 108.67 3.8 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 m -75.51 143.87 42.28 Favored 'General case' 0 N--CA 1.428 -1.558 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.6 mt -71.15 106.94 3.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 m 63.41 70.89 0.52 Allowed 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.568 1.168 . . . . 0.0 109.432 -174.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.052 0 CA-C-N 116.073 -0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -89.85 -40.41 12.45 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.0 mt -78.72 136.85 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -76.85 6.11 6.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.0 59.43 4.95 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 172.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.4 t -153.24 103.77 2.73 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 114.713 -0.743 . . . . 0.0 109.37 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 m -84.53 148.07 26.71 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -110.87 140.61 45.18 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 m -144.67 -79.83 0.18 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.005 0 O-C-N 122.227 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 90.8 m . . . . . 0 CA--C 1.504 -0.807 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -89.35 -26.77 20.89 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.4 147.32 8.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.413 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -75.74 -19.63 58.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.915 0.864 . . . . 0.0 110.319 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.55 49.02 3.78 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.963 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 t -155.98 101.24 2.09 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -102.9 147.31 27.06 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.926 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.96 98.62 6.92 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.082 0.468 . . . . 0.0 109.868 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -96.09 94.1 7.35 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.196 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.034 0 O-C-N 122.287 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.236 0.386 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.83 -39.17 13.25 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.455 HG23 ' H ' ' A' ' 5' ' ' GLY . 57.4 mt -85.23 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.437 ' C ' ' H ' ' A' ' 6' ' ' CYS . 96.3 mt-30 -75.91 -16.53 60.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.511 0.672 . . . . 0.0 111.509 -176.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.455 ' H ' HG23 ' A' ' 3' ' ' ILE . . . -80.8 34.89 2.31 Favored Glycine 0 C--N 1.298 -1.565 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.208 176.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.437 ' H ' ' C ' ' A' ' 4' ' ' GLN . 40.5 t -146.92 100.17 3.28 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -106.59 103.99 13.57 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.463 0.649 . . . . 0.0 112.326 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -122.51 160.51 25.46 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -89.18 91.08 8.64 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.235 0.299 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -89.63 -37.99 14.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.982 0.42 . . . . 0.0 110.346 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.04 148.66 10.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -87.86 -32.33 19.05 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 122.515 1.15 . . . . 0.0 109.288 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.94 55.12 4.8 Favored Glycine 0 C--N 1.274 -2.899 0 CA-C-N 114.008 -1.451 . . . . 0.0 112.633 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -100.98 154.12 18.96 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 p -83.34 123.6 29.8 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.9 mt -112.63 89.68 3.14 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.251 0.548 . . . . 0.0 110.61 -177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 m -134.3 83.44 2.04 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.266 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 116.482 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -89.21 -27.18 20.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.73 143.4 13.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.4 -24.6 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.241 0.543 . . . . 0.0 112.168 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.86 56.84 4.81 Favored Glycine 0 C--N 1.288 -2.107 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.18 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.74 139.18 1.16 Allowed 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 p -82.73 107.73 15.57 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.356 0.598 . . . . 0.0 110.59 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 tp -108.09 103.16 12.31 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 m -76.27 -73.21 0.29 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.072 0 O-C-N 122.283 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.788 0.328 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -88.12 -11.04 48.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 122.01 0.91 . . . . 0.0 108.607 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.439 HG23 ' H ' ' A' ' 5' ' ' GLY . 59.3 mt -81.63 140.76 16.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 174.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -97.68 -11.51 23.42 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.311 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.439 ' H ' HG23 ' A' ' 3' ' ' ILE . . . -83.04 45.02 3.37 Favored Glycine 0 C--N 1.3 -1.468 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.217 176.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.8 m -103.69 114.23 28.33 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -81.78 143.29 31.9 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.19 138.96 54.35 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.329 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -80.09 93.29 5.76 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.767 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.237 0.399 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.64 64.93 0.61 Allowed 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.793 0.806 . . . . 0.0 110.64 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 pt -142.93 148.92 19.08 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.87 -36.76 70.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 122.197 0.999 . . . . 0.0 110.803 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.08 64.58 4.02 Favored Glycine 0 C--N 1.271 -3.031 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.202 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.8 t -162.22 146.53 12.26 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -137.82 141.12 40.81 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 tp -105.9 135.42 47.38 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -134.08 89.47 2.57 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 116.145 -0.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 CA--C 1.504 -0.819 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -88.79 -33.88 17.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 5' ' ' GLY . 49.5 mt -87.86 129.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 172.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.17 -2.26 43.96 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -83.2 54.33 4.95 Favored Glycine 0 C--N 1.305 -1.165 0 N-CA-C 107.85 -2.1 . . . . 0.0 107.85 169.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.0 t -171.48 119.76 0.47 Allowed 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -174.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -104.79 145.65 30.07 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.353 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.18 117.12 6.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -110.82 86.27 2.28 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 CA-C-N 116.462 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -88.84 -48.56 7.39 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 5' ' ' GLY . 50.5 mt -73.67 131.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -73.18 -16.54 61.43 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.664 0.745 . . . . 0.0 111.691 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -81.88 57.22 4.95 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.275 174.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t -148.96 115.47 5.89 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 m -84.75 147.27 26.96 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.384 0.611 . . . . 0.0 110.777 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.3 tp -127.96 132.6 49.2 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -145.81 78.3 1.53 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.319 0.581 . . . . 0.0 109.631 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -89.38 -16.34 31.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.87 136.76 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -73.48 -28.4 61.91 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.477 0.656 . . . . 0.0 111.931 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.04 69.5 3.33 Favored Glycine 0 C--N 1.281 -2.481 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.2 t -151.63 108.76 3.56 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -80.08 112.34 17.3 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.74 112.1 4.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 -176.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 m -108.15 91.0 3.47 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.499 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 116.576 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.58 -41.15 12.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 pt -81.67 155.45 4.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -20.7 45.64 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.274 0.559 . . . . 0.0 111.697 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.06 45.52 3.53 Favored Glycine 0 C--N 1.292 -1.897 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.816 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.0 t -161.36 116.69 2.09 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -131.44 139.09 49.31 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.71 149.62 21.05 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.751 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 m -150.67 89.84 1.59 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 116.504 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -91.37 -36.77 13.63 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 5' ' ' GLY . 58.3 mt -78.12 134.51 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.83 -6.89 58.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.335 0.588 . . . . 0.0 112.585 -174.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.54 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -83.71 53.69 4.88 Favored Glycine 0 C--N 1.293 -1.808 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 174.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.16 114.6 11.01 Favored 'General case' 0 N--CA 1.416 -2.172 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -119.77 162.04 19.74 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.54 95.49 6.28 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.4 m -142.4 98.42 3.3 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.362 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 116.378 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 CA--C 1.514 -0.442 0 CA-C-O 120.748 0.308 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -94.9 -30.96 13.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.623 HG22 ' H ' ' A' ' 5' ' ' GLY . 52.8 mt -83.4 135.33 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -75.27 -13.62 60.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.153 0.977 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.623 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -83.14 43.14 3.08 Favored Glycine 0 C--N 1.297 -1.616 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.771 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -149.7 113.36 5.03 Favored 'General case' 0 N--CA 1.419 -1.981 0 C-N-CA 124.26 1.024 . . . . 0.0 108.488 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 p -127.37 141.53 51.67 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.53 134.25 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 m -148.85 84.34 1.46 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.085 0.469 . . . . 0.0 109.802 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.3 m . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -88.92 -30.86 18.52 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.689 0.757 . . . . 0.0 109.028 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 5' ' ' GLY . 50.8 mt -82.36 144.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -76.5 -1.1 25.56 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.069 0.461 . . . . 0.0 112.217 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -86.61 51.37 4.33 Favored Glycine 0 C--N 1.306 -1.138 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.2 t -179.27 133.08 0.12 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -100.77 141.8 33.13 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -85.1 130.07 34.68 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.624 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -83.02 -89.3 0.09 Allowed 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.03 -36.26 15.9 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 5' ' ' GLY . 62.7 mt -88.73 137.48 21.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -77.59 -25.52 50.02 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.454 0.645 . . . . 0.0 110.88 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.429 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -82.25 62.57 4.55 Favored Glycine 0 C--N 1.292 -1.893 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.5 t -142.63 146.76 34.83 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 132.58 35.97 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-O 121.69 0.757 . . . . 0.0 109.091 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -95.28 131.82 40.95 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.978 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -111.4 98.71 7.67 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 CA-C-N 116.279 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 8' ' ' LEU . 89.6 m . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.993 0.425 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -91.03 -37.18 13.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -90.83 155.38 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.78 -19.8 61.96 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.606 0.717 . . . . 0.0 111.664 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.15 49.02 4.04 Favored Glycine 0 C--N 1.296 -1.673 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -157.53 100.07 1.77 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.0 p -107.06 99.96 9.48 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.783 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' HB2' ' SG ' ' A' ' 1' ' ' CYS . 5.0 tt -84.62 94.74 8.68 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -82.88 79.63 9.2 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.657 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 CA-C-N 115.987 -0.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -89.8 -31.59 17.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.8 pt -62.88 145.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.345 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -82.71 -12.03 57.88 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 121.505 0.669 . . . . 0.0 110.927 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.48 40.72 2.76 Favored Glycine 0 C--N 1.311 -0.826 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.023 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.6 t -173.98 83.71 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 p -83.67 120.01 25.47 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.605 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.17 111.57 2.28 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.07 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -98.9 -77.81 0.51 Allowed 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.767 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.797 0 O-C-N 122.237 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 CA--C 1.517 -0.315 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -89.05 -32.01 17.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.861 0.839 . . . . 0.0 109.106 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 5' ' ' GLY . 46.3 mt -92.94 131.43 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -72.72 -16.21 61.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.315 1.055 . . . . 0.0 110.976 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.536 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -84.28 59.98 4.88 Favored Glycine 0 C--N 1.293 -1.839 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 171.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -156.7 95.55 1.55 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -91.82 171.01 9.43 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.453 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -150.7 150.87 31.62 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -71.53 100.18 2.2 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 120.985 0.422 . . . . 0.0 110.366 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.956 0 CA-C-N 116.42 -0.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -89.18 -28.66 19.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.23 131.05 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 171.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -82.24 -22.73 35.71 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 122.005 0.907 . . . . 0.0 109.925 -173.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.17 61.04 4.78 Favored Glycine 0 C--N 1.293 -1.825 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.846 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -135.05 160.18 39.14 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 p -127.62 152.18 47.99 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.3 tp -76.94 105.68 8.16 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.512 0.508 . . . . 0.0 109.928 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m 59.39 81.06 0.18 Allowed 'General case' 0 C--O 1.246 0.908 0 O-C-N 124.187 0.93 . . . . 0.0 111.535 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 115.999 -0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -125.22 4.82 7.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.38 0.61 . . . . 0.0 109.659 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 5' ' ' GLY . 62.8 mt -117.26 148.97 19.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 176.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -74.8 -5.65 44.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 122.04 0.924 . . . . 0.0 111.354 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -84.29 47.05 3.77 Favored Glycine 0 C--N 1.309 -0.97 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.884 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.2 t -150.2 108.67 3.8 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 m -75.51 143.87 42.28 Favored 'General case' 0 N--CA 1.428 -1.558 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.6 mt -71.15 106.94 3.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 m 63.41 70.89 0.52 Allowed 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.568 1.168 . . . . 0.0 109.432 -174.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.052 0 CA-C-N 116.073 -0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -89.85 -40.41 12.45 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 5' ' ' GLY . 55.0 mt -78.72 136.85 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 177.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -76.85 6.11 6.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.444 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -84.0 59.43 4.95 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 172.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.4 t -153.24 103.77 2.73 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 114.713 -0.743 . . . . 0.0 109.37 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 m -84.53 148.07 26.71 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -110.87 140.61 45.18 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 m -144.67 -79.83 0.18 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.005 0 O-C-N 122.227 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 90.8 m . . . . . 0 CA--C 1.504 -0.807 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -89.35 -26.77 20.89 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.4 147.32 8.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.413 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -75.74 -19.63 58.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.915 0.864 . . . . 0.0 110.319 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.55 49.02 3.78 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.963 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 t -155.98 101.24 2.09 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -102.9 147.31 27.06 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.926 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.96 98.62 6.92 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.082 0.468 . . . . 0.0 109.868 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -96.09 94.1 7.35 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.196 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.034 0 O-C-N 122.287 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.236 0.386 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.83 -39.17 13.25 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.579 HG22 ' H ' ' A' ' 5' ' ' GLY . 57.4 mt -85.23 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' CYS . 96.3 mt-30 -75.91 -16.53 60.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.511 0.672 . . . . 0.0 111.509 -176.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.579 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -80.8 34.89 2.31 Favored Glycine 0 C--N 1.298 -1.565 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.208 176.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' GLN . 40.5 t -146.92 100.17 3.28 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -106.59 103.99 13.57 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.463 0.649 . . . . 0.0 112.326 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -122.51 160.51 25.46 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -89.18 91.08 8.64 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.235 0.299 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -89.63 -37.99 14.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.982 0.42 . . . . 0.0 110.346 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.04 148.66 10.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -87.86 -32.33 19.05 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 122.515 1.15 . . . . 0.0 109.288 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.94 55.12 4.8 Favored Glycine 0 C--N 1.274 -2.899 0 CA-C-N 114.008 -1.451 . . . . 0.0 112.633 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -100.98 154.12 18.96 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 p -83.34 123.6 29.8 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.9 mt -112.63 89.68 3.14 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.251 0.548 . . . . 0.0 110.61 -177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 m -134.3 83.44 2.04 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.266 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 116.482 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -89.21 -27.18 20.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.73 143.4 13.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.4 -24.6 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.241 0.543 . . . . 0.0 112.168 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.86 56.84 4.81 Favored Glycine 0 C--N 1.288 -2.107 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.18 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.74 139.18 1.16 Allowed 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 p -82.73 107.73 15.57 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.356 0.598 . . . . 0.0 110.59 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 tp -108.09 103.16 12.31 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 m -76.27 -73.21 0.29 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.072 0 O-C-N 122.283 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.788 0.328 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -88.12 -11.04 48.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 122.01 0.91 . . . . 0.0 108.607 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' ' 5' ' ' GLY . 59.3 mt -81.63 140.76 16.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 174.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -97.68 -11.51 23.42 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.311 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.532 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -83.04 45.02 3.37 Favored Glycine 0 C--N 1.3 -1.468 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.217 176.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.8 m -103.69 114.23 28.33 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -81.78 143.29 31.9 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.19 138.96 54.35 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.329 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -80.09 93.29 5.76 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.767 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.237 0.399 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.64 64.93 0.61 Allowed 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.793 0.806 . . . . 0.0 110.64 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 6' ' ' CYS . 15.0 pt -142.93 148.92 19.08 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 177.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.87 -36.76 70.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 122.197 0.999 . . . . 0.0 110.803 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.08 64.58 4.02 Favored Glycine 0 C--N 1.271 -3.031 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.202 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.4 ' HB2' HG13 ' A' ' 3' ' ' ILE . 51.8 t -162.22 146.53 12.26 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -137.82 141.12 40.81 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 tp -105.9 135.42 47.38 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -134.08 89.47 2.57 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 116.145 -0.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 CA--C 1.504 -0.819 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -88.79 -33.88 17.28 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 5' ' ' GLY . 49.5 mt -87.86 129.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 172.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -80.17 -2.26 43.96 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -83.2 54.33 4.95 Favored Glycine 0 C--N 1.305 -1.165 0 N-CA-C 107.85 -2.1 . . . . 0.0 107.85 169.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.0 t -171.48 119.76 0.47 Allowed 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -174.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -104.79 145.65 30.07 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.353 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.18 117.12 6.69 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -110.82 86.27 2.28 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 CA-C-N 116.462 -0.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.447 -0.576 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -88.84 -48.56 7.39 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 5' ' ' GLY . 50.5 mt -73.67 131.17 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -73.18 -16.54 61.43 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.664 0.745 . . . . 0.0 111.691 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -81.88 57.22 4.95 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 114.689 -1.141 . . . . 0.0 110.275 174.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t -148.96 115.47 5.89 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.7 m -84.75 147.27 26.96 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.384 0.611 . . . . 0.0 110.777 -175.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.3 tp -127.96 132.6 49.2 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.5 m -145.81 78.3 1.53 Allowed 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.319 0.581 . . . . 0.0 109.631 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -89.38 -16.34 31.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.87 136.76 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -73.48 -28.4 61.91 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.477 0.656 . . . . 0.0 111.931 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.04 69.5 3.33 Favored Glycine 0 C--N 1.281 -2.481 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.2 t -151.63 108.76 3.56 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -80.08 112.34 17.3 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.3 tp -66.74 112.1 4.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 -176.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 m -108.15 91.0 3.47 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.499 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 116.576 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -89.58 -41.15 12.16 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 pt -81.67 155.45 4.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -20.7 45.64 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.274 0.559 . . . . 0.0 111.697 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.06 45.52 3.53 Favored Glycine 0 C--N 1.292 -1.897 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.816 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.0 t -161.36 116.69 2.09 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -131.44 139.09 49.31 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.71 149.62 21.05 Favored 'General case' 0 C--N 1.293 -1.888 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.751 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 m -150.67 89.84 1.59 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 116.504 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -91.37 -36.77 13.63 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 5' ' ' GLY . 58.3 mt -78.12 134.51 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 175.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.83 -6.89 58.23 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.335 0.588 . . . . 0.0 112.585 -174.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.54 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -83.71 53.69 4.88 Favored Glycine 0 C--N 1.293 -1.808 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 174.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 t -137.16 114.6 11.01 Favored 'General case' 0 N--CA 1.416 -2.172 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -176.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -119.77 162.04 19.74 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -102.54 95.49 6.28 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.4 m -142.4 98.42 3.3 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.362 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.15 0 CA-C-N 116.378 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 97.7 m . . . . . 0 CA--C 1.514 -0.442 0 CA-C-O 120.748 0.308 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -94.9 -30.96 13.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.623 HG22 ' H ' ' A' ' 5' ' ' GLY . 52.8 mt -83.4 135.33 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -75.27 -13.62 60.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 122.153 0.977 . . . . 0.0 110.299 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.623 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -83.14 43.14 3.08 Favored Glycine 0 C--N 1.297 -1.616 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.771 176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.2 t -149.7 113.36 5.03 Favored 'General case' 0 N--CA 1.419 -1.981 0 C-N-CA 124.26 1.024 . . . . 0.0 108.488 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 p -127.37 141.53 51.67 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.53 134.25 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 m -148.85 84.34 1.46 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.085 0.469 . . . . 0.0 109.802 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 65.3 m . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -88.92 -30.86 18.52 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.689 0.757 . . . . 0.0 109.028 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 5' ' ' GLY . 50.8 mt -82.36 144.61 9.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -76.5 -1.1 25.56 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.069 0.461 . . . . 0.0 112.217 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -86.61 51.37 4.33 Favored Glycine 0 C--N 1.306 -1.138 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.2 t -179.27 133.08 0.12 Allowed 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.917 -1.883 . . . . 0.0 105.917 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -100.77 141.8 33.13 Favored 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.252 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.6 tp -85.1 130.07 34.68 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.624 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -83.02 -89.3 0.09 Allowed 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.03 -36.26 15.9 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 5' ' ' GLY . 62.7 mt -88.73 137.48 21.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 176.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -77.59 -25.52 50.02 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.454 0.645 . . . . 0.0 110.88 -177.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.429 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -82.25 62.57 4.55 Favored Glycine 0 C--N 1.292 -1.893 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.5 t -142.63 146.76 34.83 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 m -80.1 132.58 35.97 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-O 121.69 0.757 . . . . 0.0 109.091 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -95.28 131.82 40.95 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.978 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 t -111.4 98.71 7.67 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 CA-C-N 116.279 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 8' ' ' LEU . 89.6 m . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.993 0.425 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -91.03 -37.18 13.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.347 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tp -90.83 155.38 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.78 -19.8 61.96 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.606 0.717 . . . . 0.0 111.664 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.15 49.02 4.04 Favored Glycine 0 C--N 1.296 -1.673 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.9 t -157.53 100.07 1.77 Allowed 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 -178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.0 p -107.06 99.96 9.48 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.783 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' HB2' ' SG ' ' A' ' 1' ' ' CYS . 5.0 tt -84.62 94.74 8.68 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -82.88 79.63 9.2 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.657 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 CA-C-N 115.987 -0.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -89.8 -31.59 17.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.8 pt -62.88 145.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.345 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -82.71 -12.03 57.88 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 121.505 0.669 . . . . 0.0 110.927 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.48 40.72 2.76 Favored Glycine 0 C--N 1.311 -0.826 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.023 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.6 t -173.98 83.71 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 p -83.67 120.01 25.47 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.605 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.17 111.57 2.28 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.07 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -98.9 -77.81 0.51 Allowed 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.767 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.797 0 O-C-N 122.237 -0.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 CA--C 1.517 -0.315 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -89.05 -32.01 17.78 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.861 0.839 . . . . 0.0 109.106 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 5' ' ' GLY . 46.3 mt -92.94 131.43 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.095 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -72.72 -16.21 61.67 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.315 1.055 . . . . 0.0 110.976 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.536 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -84.28 59.98 4.88 Favored Glycine 0 C--N 1.293 -1.839 0 N-CA-C 109.001 -1.64 . . . . 0.0 109.001 171.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -156.7 95.55 1.55 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -91.82 171.01 9.43 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.453 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -150.7 150.87 31.62 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -71.53 100.18 2.2 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 120.985 0.422 . . . . 0.0 110.366 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.956 0 CA-C-N 116.42 -0.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 N--CA 1.441 -0.896 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -89.18 -28.66 19.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.23 131.05 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 171.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -82.24 -22.73 35.71 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 122.005 0.907 . . . . 0.0 109.925 -173.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.17 61.04 4.78 Favored Glycine 0 C--N 1.293 -1.825 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.846 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.9 t -135.05 160.18 39.14 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.4 p -127.62 152.18 47.99 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.3 tp -76.94 105.68 8.16 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 123.512 0.508 . . . . 0.0 109.928 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m 59.39 81.06 0.18 Allowed 'General case' 0 C--O 1.246 0.908 0 O-C-N 124.187 0.93 . . . . 0.0 111.535 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 115.999 -0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -125.22 4.82 7.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.38 0.61 . . . . 0.0 109.659 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 5' ' ' GLY . 62.8 mt -117.26 148.97 19.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 176.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -74.8 -5.65 44.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 122.04 0.924 . . . . 0.0 111.354 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -84.29 47.05 3.77 Favored Glycine 0 C--N 1.309 -0.97 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.884 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.2 t -150.2 108.67 3.8 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 m -75.51 143.87 42.28 Favored 'General case' 0 N--CA 1.428 -1.558 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.6 mt -71.15 106.94 3.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 m 63.41 70.89 0.52 Allowed 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.568 1.168 . . . . 0.0 109.432 -174.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.052 0 CA-C-N 116.073 -0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -89.85 -40.41 12.45 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 5' ' ' GLY . 55.0 mt -78.72 136.85 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 106.65 -1.611 . . . . 0.0 106.65 177.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -76.85 6.11 6.69 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.444 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -84.0 59.43 4.95 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 108.859 -1.696 . . . . 0.0 108.859 172.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.4 t -153.24 103.77 2.73 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 114.713 -0.743 . . . . 0.0 109.37 -176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 m -84.53 148.07 26.71 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -110.87 140.61 45.18 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 m -144.67 -79.83 0.18 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.005 0 O-C-N 122.227 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 90.8 m . . . . . 0 CA--C 1.504 -0.807 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -89.35 -26.77 20.89 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.4 147.32 8.94 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.413 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -75.74 -19.63 58.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.915 0.864 . . . . 0.0 110.319 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.55 49.02 3.78 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.963 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 t -155.98 101.24 2.09 Favored 'General case' 0 N--CA 1.42 -1.952 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 p -102.9 147.31 27.06 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.926 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 mp -114.96 98.62 6.92 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.082 0.468 . . . . 0.0 109.868 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -96.09 94.1 7.35 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.196 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.034 0 O-C-N 122.287 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.236 0.386 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -89.83 -39.17 13.25 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.579 HG22 ' H ' ' A' ' 5' ' ' GLY . 57.4 mt -85.23 137.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.268 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' CYS . 96.3 mt-30 -75.91 -16.53 60.01 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.511 0.672 . . . . 0.0 111.509 -176.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.579 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -80.8 34.89 2.31 Favored Glycine 0 C--N 1.298 -1.565 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.208 176.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' H ' ' C ' ' A' ' 4' ' ' GLN . 40.5 t -146.92 100.17 3.28 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -106.59 103.99 13.57 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.463 0.649 . . . . 0.0 112.326 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -122.51 160.51 25.46 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -89.18 91.08 8.64 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.235 0.299 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -89.63 -37.99 14.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.982 0.42 . . . . 0.0 110.346 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.5 mt -71.04 148.66 10.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -87.86 -32.33 19.05 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 122.515 1.15 . . . . 0.0 109.288 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.94 55.12 4.8 Favored Glycine 0 C--N 1.274 -2.899 0 CA-C-N 114.008 -1.451 . . . . 0.0 112.633 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.8 m -100.98 154.12 18.96 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 175.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 p -83.34 123.6 29.8 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 174.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.9 mt -112.63 89.68 3.14 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.251 0.548 . . . . 0.0 110.61 -177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 m -134.3 83.44 2.04 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.266 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 CA-C-N 116.482 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -89.21 -27.18 20.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.1 pt -59.73 143.4 13.97 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.018 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -71.4 -24.6 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.241 0.543 . . . . 0.0 112.168 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -80.86 56.84 4.81 Favored Glycine 0 C--N 1.288 -2.107 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.18 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.8 t -171.74 139.18 1.16 Allowed 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 p -82.73 107.73 15.57 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 121.356 0.598 . . . . 0.0 110.59 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 tp -108.09 103.16 12.31 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.7 m -76.27 -73.21 0.29 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.072 0 O-C-N 122.283 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.788 0.328 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -88.12 -11.04 48.14 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 122.01 0.91 . . . . 0.0 108.607 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' ' 5' ' ' GLY . 59.3 mt -81.63 140.76 16.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 174.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -97.68 -11.51 23.42 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.444 -0.902 . . . . 0.0 111.311 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.532 ' H ' HG22 ' A' ' 3' ' ' ILE . . . -83.04 45.02 3.37 Favored Glycine 0 C--N 1.3 -1.468 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.217 176.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.8 m -103.69 114.23 28.33 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -81.78 143.29 31.9 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.19 138.96 54.35 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.329 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -80.09 93.29 5.76 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.767 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.237 0.399 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -110.64 64.93 0.61 Allowed 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.793 0.806 . . . . 0.0 110.64 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 6' ' ' CYS . 15.0 pt -142.93 148.92 19.08 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 177.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -71.87 -36.76 70.2 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 122.197 0.999 . . . . 0.0 110.803 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.08 64.58 4.02 Favored Glycine 0 C--N 1.271 -3.031 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.202 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.4 ' HB2' HG13 ' A' ' 3' ' ' ILE . 51.8 t -162.22 146.53 12.26 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 m -137.82 141.12 40.81 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 tp -105.9 135.42 47.38 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -134.08 89.47 2.57 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.158 0 CA-C-N 116.145 -0.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_