data_2m61_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 2m61 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 71.340000000000003 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.59 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.847 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -92.93 -63.15 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 62.240000000000002 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.33 -38.07 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.150000000000006 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.38 1.43 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.5 111.138 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.1 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 110.859 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.61 82.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.010000000000005 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.47 59.21 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 65.019999999999996 110.931 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.12 76.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 61.109999999999999 112.483 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.7 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 72.540000000000006 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 71.310000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.426 0 N-CA-C 110.906 -0.035 . . . . 73.430000000000007 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 108.828 -0.804 . . . . 73.299999999999997 108.828 -178.825 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 74.040000000000006 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.63 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 110.87 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.95 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.858 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.06 12.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 75.530000000000001 110.924 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.39 22.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 111.153 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.519999999999996 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.420000000000002 112.512 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -90.54 59.25 4.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 75.510000000000005 110.922 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.17 77.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 55.140000000000001 112.499 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.65 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 61.130000000000003 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 75.439999999999998 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.874 -0.047 . . . . 63.530000000000001 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.869 -0.789 . . . . 74.25 108.869 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.859 0.361 . . . . 75.099999999999994 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.59 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 70.5 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 -38.07 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.96 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.44 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 111.124 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.05 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.109999999999999 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 73.420000000000002 112.482 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -90.54 59.24 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 74.209999999999994 110.929 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.15 76.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 64.099999999999994 112.502 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 73.310000000000002 110.89 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 75.530000000000001 110.825 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.468 0 CA-C-O 120.029 -0.034 . . . . 75.230000000000004 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 108.843 -0.799 . . . . 75.420000000000002 108.843 -178.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.349 . . . . 72.420000000000002 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.239999999999995 110.87 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -92.92 -63.2 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.883 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 72.519999999999996 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.4 22.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.530000000000001 111.097 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.01 31.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 71.319999999999993 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 55.32 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.55 59.28 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 71.140000000000001 110.933 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 73.200000000000003 112.523 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.73 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 65.099999999999994 110.846 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 73.209999999999994 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.893 -0.04 . . . . 71.049999999999997 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.872 -0.788 . . . . 64.319999999999993 108.872 -178.835 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 62.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 110.921 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -92.88 -63.14 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.918 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.32 -38.07 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 63.229999999999997 111.105 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.450000000000003 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.53 82.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 72.299999999999997 112.507 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.57 59.27 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 72.430000000000007 110.908 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.1 76.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 62.219999999999999 112.52 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 74.319999999999993 110.875 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 71.140000000000001 110.846 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.464 0 N-CA-C 110.882 -0.044 . . . . 72.150000000000006 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.868 -0.79 . . . . 63.439999999999998 108.868 -178.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 61.130000000000003 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.59 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 60.340000000000003 110.863 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.87 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.38 -37.98 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.42 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 55.219999999999999 111.079 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.07 31.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.329999999999998 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.57 82.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 65.010000000000005 112.477 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.6 59.3 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 74.040000000000006 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 63.450000000000003 112.504 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 71.510000000000005 110.879 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 72.430000000000007 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.422 0 N-CA-C 110.886 -0.042 . . . . 73.430000000000007 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 108.889 -0.782 . . . . 73.099999999999994 108.889 -178.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 72.140000000000001 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.6 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 64.040000000000006 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -92.95 -63.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.099999999999994 110.866 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.27 -38.05 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 110.936 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.37 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 62.229999999999997 111.098 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 70.409999999999997 110.914 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 61.109999999999999 112.493 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.53 59.22 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 73.439999999999998 110.889 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.16 77.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 74.209999999999994 112.455 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.79 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 73.219999999999999 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.546 0.688 . . . . 75.540000000000006 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.453 0 N-CA-C 110.874 -0.047 . . . . 74.140000000000001 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.879 -0.786 . . . . 74.319999999999993 108.879 -178.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 73.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.230000000000004 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.97 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.831 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.31 -38.08 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.209999999999994 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.38 22.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 111.118 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.06 31.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.55 82.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.430000000000007 112.492 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -90.56 59.31 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 75.010000000000005 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.17 30.21 77.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 73.25 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 74.409999999999997 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 74.420000000000002 110.9 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.463 0 N-CA-C 110.872 -0.047 . . . . 74.430000000000007 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.863 -0.792 . . . . 71.109999999999999 108.863 -178.821 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.863 0.363 . . . . 73.219999999999999 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.58 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.91 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.889 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.07 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 72.530000000000001 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.37 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.107 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -22.08 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.409999999999997 110.891 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.56 82.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 74.349999999999994 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -90.59 59.34 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 74.209999999999994 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.09 76.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 61.530000000000001 112.509 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 71.519999999999996 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 72.409999999999997 110.866 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.469 0 N-CA-C 110.874 -0.047 . . . . 74.349999999999994 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 108.871 -0.789 . . . . 74.420000000000002 108.871 -178.839 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 75.420000000000002 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.58 35.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -92.93 -63.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 72.540000000000006 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.37 -38.04 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 111.146 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -22.0 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.848 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.6 82.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 71.140000000000001 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.5 59.28 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 74.230000000000004 110.954 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.17 77.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 72.120000000000005 112.477 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 72.349999999999994 110.878 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 75.099999999999994 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.412 0 N-CA-C 110.846 -0.057 . . . . 75.129999999999995 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 108.872 -0.788 . . . . 74.0 108.872 -178.837 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.926 0.394 . . . . 62.43 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.57 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.019999999999996 110.858 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.88 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.019999999999996 110.883 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.03 12.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 75.329999999999998 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.39 22.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 111.099 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.11 30.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 63.32 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.63 82.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 64.420000000000002 112.502 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.55 59.29 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 74.329999999999998 110.946 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.08 76.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 64.519999999999996 112.52 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.7 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 74.109999999999999 110.919 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.618 0.723 . . . . 73.129999999999995 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.478 0 N-CA-C 110.85 -0.056 . . . . 74.239999999999995 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.875 -0.787 . . . . 52.130000000000003 108.875 -178.849 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.353 . . . . 64.319999999999993 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.61 35.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -92.93 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.28 -38.12 12.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 111.082 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.05 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 53.329999999999998 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 -13.66 82.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 73.120000000000005 112.49 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.51 59.25 4.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 73.219999999999999 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.19 77.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 74.519999999999996 112.469 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.87 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 62.340000000000003 110.844 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 74.319999999999993 110.83 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.459 0 N-CA-C 110.877 -0.046 . . . . 53.299999999999997 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 108.855 -0.794 . . . . 65.430000000000007 108.855 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.887 0.375 . . . . 74.299999999999997 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.62 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.86 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.26 -38.04 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.38 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 111.077 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.02 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 110.926 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.62 82.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 64.239999999999995 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.53 59.27 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 75.430000000000007 110.928 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.12 76.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 74.120000000000005 112.477 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 72.340000000000003 110.817 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.537 0.684 . . . . 73.409999999999997 110.838 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.447 0 N-CA-C 110.864 -0.05 . . . . 72.239999999999995 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 108.897 -0.779 . . . . 71.310000000000002 108.897 -178.861 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 70.230000000000004 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.26 149.6 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.010000000000005 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.89 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.540000000000006 110.87 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.06 12.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.41 22.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.299999999999997 111.087 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.07 31.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 65.209999999999994 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 64.439999999999998 112.464 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 73.239999999999995 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 76.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 74.140000000000001 112.477 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 72.019999999999996 110.901 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 72.010000000000005 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.46 0 N-CA-C 110.882 -0.044 . . . . 73.420000000000002 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.873 -0.788 . . . . 75.209999999999994 108.873 -178.851 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 75.329999999999998 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.24 149.59 35.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 70.530000000000001 110.924 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -92.92 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 61.140000000000001 110.883 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.3 -38.09 12.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.030000000000001 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.46 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.420000000000002 111.107 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -22.08 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 64.439999999999998 110.86 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.58 82.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 71.230000000000004 112.479 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.7 mt -90.54 59.33 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 73.310000000000002 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.18 30.17 77.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 71.310000000000002 112.489 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.78 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 61.399999999999999 110.864 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 64.439999999999998 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.405 0 N-CA-C 110.901 -0.037 . . . . 75.329999999999998 110.901 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.829 -0.804 . . . . 61.329999999999998 108.829 -178.839 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.907 0.384 . . . . 53.32 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.62 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 73.420000000000002 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.838 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.26 -38.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.400000000000006 110.935 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 1.42 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.5 111.1 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.69 -22.01 31.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 73.230000000000004 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.55 82.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 70.299999999999997 112.474 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 59.32 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 75.319999999999993 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.2 77.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 74.420000000000002 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.76 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.409999999999997 110.832 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.430000000000007 110.859 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.483 0 N-CA-C 110.886 -0.042 . . . . 71.140000000000001 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.882 -0.785 . . . . 74.319999999999993 108.882 -178.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 61.43 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.6 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -92.91 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.875 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.38 -38.0 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.932 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.41 22.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.420000000000002 111.113 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.899 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.53 82.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 72.140000000000001 112.519 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -90.56 59.25 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.875 0.369 . . . . 74.010000000000005 110.924 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.1 76.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 71.030000000000001 112.514 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 70.030000000000001 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.56 0.695 . . . . 72.150000000000006 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.896 -0.038 . . . . 73.209999999999994 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.87 -0.789 . . . . 71.209999999999994 108.87 -178.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 62.229999999999997 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.31 149.56 35.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 70.209999999999994 110.901 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -92.85 -63.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.31 -38.02 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.4 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.540000000000006 111.069 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -22.05 31.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 64.349999999999994 110.858 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 74.409999999999997 112.536 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 73.349999999999994 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 70.299999999999997 112.483 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.76 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 72.140000000000001 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 73.519999999999996 110.89 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.471 0 N-CA-C 110.92 -0.03 . . . . 74.409999999999997 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.88 -0.785 . . . . 75.040000000000006 108.88 -178.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 73.5 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.34 149.56 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.409999999999997 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.872 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.33 -38.05 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.918 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.4 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.229999999999997 111.091 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.1 31.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.6 82.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 64.019999999999996 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.52 59.29 4.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 64.340000000000003 110.936 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.21 77.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 64.439999999999998 112.486 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.85 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 63.43 110.828 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.420000000000002 110.872 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.453 0 N-CA-C 110.885 -0.043 . . . . 74.439999999999998 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 108.841 -0.799 . . . . 73.040000000000006 108.841 -178.83 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 63.439999999999998 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.58 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 62.030000000000001 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 110.874 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.33 -38.02 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.39 22.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 111.067 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -22.01 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.841 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 64.200000000000003 112.486 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mp -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.827 0.346 . . . . 74.040000000000006 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.12 76.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 75.040000000000006 112.515 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 65.299999999999997 110.94 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 73.310000000000002 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.017 -0.039 . . . . 62.240000000000002 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 108.82 -0.808 . . . . 75.200000000000003 108.82 -178.804 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 70.319999999999993 110.904 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.61 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 63.149999999999999 110.881 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.540000000000006 110.847 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 mt -92.32 -37.97 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.951 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.48 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 64.239999999999995 111.076 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.04 31.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.923 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 34.399999999999999 112.458 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.51 59.23 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 75.239999999999995 110.924 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 71.329999999999998 112.501 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 74.299999999999997 110.885 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 73.430000000000007 110.87 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.449 0 N-CA-C 110.916 -0.031 . . . . 71.439999999999998 110.916 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.877 -0.786 . . . . 71.120000000000005 108.877 -178.834 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.86 0.362 . . . . 73.349999999999994 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.59 35.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.219999999999999 110.845 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -92.88 -63.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.340000000000003 110.918 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.29 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 73.439999999999998 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.39 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 111.073 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.17 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 72.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.88 -13.63 82.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 74.219999999999999 112.513 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.49 59.25 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 74.340000000000003 110.908 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.13 76.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 70.019999999999996 112.489 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 74.120000000000005 110.876 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.876 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.424 0 N-CA-C 110.863 -0.051 . . . . 65.239999999999995 110.863 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 108.884 -0.784 . . . . 72.430000000000007 108.884 -178.839 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.892 0.377 . . . . 65.450000000000003 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.56 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 51.299999999999997 110.855 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 72.409999999999997 110.892 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.3 mt -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.882 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.44 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 60.450000000000003 111.124 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.02 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 110.901 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.58 82.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.452 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.5 59.26 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 73.319999999999993 110.907 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.16 77.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 71.109999999999999 112.485 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.73 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 73.409999999999997 110.868 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 73.209999999999994 110.83 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.494 0 CA-C-O 120.017 -0.04 . . . . 73.319999999999993 110.95 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 108.886 -0.783 . . . . 74.109999999999999 108.886 -178.843 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.864 0.364 . . . . 71.209999999999994 110.886 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.27 149.61 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.200000000000003 110.914 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -92.9 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 75.019999999999996 110.853 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.3 -38.0 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.933 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.44 22.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.892 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.58 82.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 61.539999999999999 112.445 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.54 59.29 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 63.009999999999998 110.92 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 72.219999999999999 112.505 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.84 86.72 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.099999999999994 110.86 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 71.25 110.875 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.882 -0.044 . . . . 74.319999999999993 110.882 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 108.866 -0.79 . . . . 70.040000000000006 108.866 -178.858 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.885 0.374 . . . . 74.219999999999999 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.61 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 70.319999999999993 110.866 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.833 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.28 -38.02 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.924 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.44 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 71.140000000000001 111.087 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.09 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 61.210000000000001 110.866 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.49 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -90.54 59.22 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 72.420000000000002 110.898 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.02 76.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 70.200000000000003 112.489 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.74 86.69 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 74.329999999999998 110.916 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.714 . . . . 73.299999999999997 110.83 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.457 0 N-CA-C 110.851 -0.055 . . . . 74.25 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.871 -0.788 . . . . 51.119999999999997 108.871 -178.83 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.875 0.369 . . . . 64.140000000000001 110.837 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.62 35.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 73.420000000000002 110.848 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -92.95 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 72.530000000000001 110.877 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -92.35 -38.06 12.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.909 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.126 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.03 31.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 64.120000000000005 110.86 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.65 82.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 60.009999999999998 112.508 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 64.219999999999999 110.902 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.12 76.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 75.129999999999995 112.501 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.129999999999995 110.862 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 62.009999999999998 110.878 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.486 0 N-CA-C 110.894 -0.039 . . . . 74.109999999999999 110.894 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 108.86 -0.792 . . . . 74.150000000000006 108.86 -178.838 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 64.25 110.908 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.58 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.894 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -92.91 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 mt -92.28 -38.04 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.948 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.35 22.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 111.11 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.08 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 74.219999999999999 110.89 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 50.109999999999999 112.481 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.48 59.3 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 73.540000000000006 110.924 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.16 77.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 61.539999999999999 112.511 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.64 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 62.140000000000001 110.89 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 73.439999999999998 110.875 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.444 0 N-CA-C 110.849 -0.056 . . . . 74.439999999999998 110.849 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 108.899 -0.778 . . . . 64.409999999999997 108.899 -178.868 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 73.400000000000006 110.883 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.63 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 60.43 110.833 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.826 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -92.3 -38.11 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.909 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.43 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 111.126 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.08 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 110.89 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.64 82.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 52.530000000000001 112.483 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.5 59.33 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 71.150000000000006 110.928 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.15 76.99 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 75.209999999999994 112.478 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.66 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 73.140000000000001 110.893 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 73.239999999999995 110.884 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.452 0 N-CA-C 110.865 -0.05 . . . . 74.109999999999999 110.865 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.864 -0.791 . . . . 42.119999999999997 108.864 -178.868 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 72.120000000000005 110.9 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.63 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 73.150000000000006 110.853 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.98 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.439999999999998 110.837 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.35 -37.97 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.420000000000002 110.915 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.46 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.077 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.07 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 65.030000000000001 110.877 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.57 82.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 73.099999999999994 112.526 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.56 59.28 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 74.409999999999997 110.882 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.15 30.19 77.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 71.230000000000004 112.515 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 61.229999999999997 110.846 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 74.329999999999998 110.826 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.014 -0.041 . . . . 74.329999999999998 110.919 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.828 -0.804 . . . . 65.239999999999995 108.828 -178.824 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 74.129999999999995 110.861 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.140000000000001 110.901 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 110.867 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.28 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 110.931 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.48 1.41 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 111.064 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 64.109999999999999 110.887 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.020000000000003 112.467 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.54 59.32 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 74.129999999999995 110.903 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.1 76.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 72.019999999999996 112.478 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.75 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 74.329999999999998 110.862 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.697 . . . . 74.239999999999995 110.868 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.473 0 CA-C-O 120.017 -0.04 . . . . 73.430000000000007 110.903 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.849 -0.797 . . . . 61.229999999999997 108.849 -178.819 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 71.340000000000003 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.59 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.847 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -92.93 -63.15 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 62.240000000000002 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.33 -38.07 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.150000000000006 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.38 1.43 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.5 111.138 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.1 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 110.859 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.61 82.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.010000000000005 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.47 59.21 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 65.019999999999996 110.931 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.12 76.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 61.109999999999999 112.483 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.7 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 72.540000000000006 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.584 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.38 161.75 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 71.310000000000002 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.584 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.24 21.87 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.51 37.79 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.828 -0.804 . . . . 73.299999999999997 108.828 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.85 -1.068 . . . . 70.010000000000005 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 74.040000000000006 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.63 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 110.87 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.95 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.858 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.06 12.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 75.530000000000001 110.924 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.39 22.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 111.153 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.519999999999996 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.420000000000002 112.512 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -90.54 59.25 4.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 75.510000000000005 110.922 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.17 77.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 55.140000000000001 112.499 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.65 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 61.130000000000003 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.576 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.72 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 75.439999999999998 110.845 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.576 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.29 21.84 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.215 -0.448 . . . . 63.530000000000001 110.874 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.52 37.79 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.869 -0.789 . . . . 74.25 108.869 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 114.877 -1.056 . . . . 24.309999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.859 0.361 . . . . 75.099999999999994 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.59 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 70.5 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 -38.07 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.96 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.44 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 111.124 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.05 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.109999999999999 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 73.420000000000002 112.482 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -90.54 59.24 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 74.209999999999994 110.929 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.15 76.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 64.099999999999994 112.502 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 73.310000000000002 110.89 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.584 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.42 161.75 35.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 75.530000000000001 110.825 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.584 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.3 21.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.913 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.87 131.54 37.8 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.843 -0.799 . . . . 75.420000000000002 108.843 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 114.891 -1.05 . . . . 35.310000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.349 . . . . 72.420000000000002 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.239999999999995 110.87 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -92.92 -63.2 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.883 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 72.519999999999996 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.4 22.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.530000000000001 111.097 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.01 31.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 71.319999999999993 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 55.32 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.55 59.28 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 71.140000000000001 110.933 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 73.200000000000003 112.523 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.73 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 65.099999999999994 110.846 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.588 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.45 161.7 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 73.209999999999994 110.88 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.588 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.81 151.27 21.87 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.209 -0.45 . . . . 71.049999999999997 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.44 37.85 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.872 -0.788 . . . . 64.319999999999993 108.872 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 114.929 -1.032 . . . . 42.539999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 62.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 110.921 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -92.88 -63.14 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.918 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.32 -38.07 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 63.229999999999997 111.105 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.450000000000003 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.53 82.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 72.299999999999997 112.507 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.57 59.27 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 72.430000000000007 110.908 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.1 76.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 62.219999999999999 112.52 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 74.319999999999993 110.875 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.587 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.83 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 71.140000000000001 110.846 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.587 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.27 21.87 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.256 -0.429 . . . . 72.150000000000006 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.82 131.51 37.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.868 -0.79 . . . . 63.439999999999998 108.868 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 114.929 -1.032 . . . . 53.450000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 61.130000000000003 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.59 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 60.340000000000003 110.863 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.87 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.38 -37.98 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.42 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 55.219999999999999 111.079 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.07 31.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.329999999999998 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.57 82.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 65.010000000000005 112.477 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.6 59.3 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 74.040000000000006 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 63.450000000000003 112.504 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 71.510000000000005 110.879 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.58 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.79 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 72.430000000000007 110.879 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.58 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.29 21.86 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.2 -0.454 . . . . 73.430000000000007 110.886 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.78 131.46 37.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.889 -0.782 . . . . 73.099999999999994 108.889 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 114.871 -1.059 . . . . 33.310000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 72.140000000000001 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.6 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 64.040000000000006 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -92.95 -63.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.099999999999994 110.866 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.27 -38.05 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 110.936 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.37 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 62.229999999999997 111.098 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 70.409999999999997 110.914 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 61.109999999999999 112.493 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.53 59.22 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 73.439999999999998 110.889 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.16 77.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 74.209999999999994 112.455 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.79 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 73.219999999999999 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.582 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.71 35.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.546 0.688 . . . . 75.540000000000006 110.886 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.582 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.27 21.86 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.874 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.8 131.54 37.77 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.879 -0.786 . . . . 74.319999999999993 108.879 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 114.909 -1.041 . . . . 42.299999999999997 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 73.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.230000000000004 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.97 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.831 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.31 -38.08 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.209999999999994 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.38 22.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 111.118 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.06 31.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.55 82.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.430000000000007 112.492 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -90.56 59.31 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 75.010000000000005 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.17 30.21 77.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 73.25 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 74.409999999999997 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.586 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.75 35.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 74.420000000000002 110.9 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.586 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.89 151.28 21.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.48 37.83 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.863 -0.792 . . . . 71.109999999999999 108.863 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.872 -1.058 . . . . 74.209999999999994 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.863 0.363 . . . . 73.219999999999999 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.58 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.91 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.889 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.07 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 72.530000000000001 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.37 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.107 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -22.08 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.409999999999997 110.891 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.56 82.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 74.349999999999994 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -90.59 59.34 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 74.209999999999994 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.09 76.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 61.530000000000001 112.509 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 71.519999999999996 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.579 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.35 161.77 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 72.409999999999997 110.866 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.579 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.77 151.32 21.87 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.91 131.5 37.88 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.871 -0.789 . . . . 74.420000000000002 108.871 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 114.875 -1.057 . . . . 40.310000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 75.420000000000002 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.58 35.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -92.93 -63.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 72.540000000000006 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.37 -38.04 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 111.146 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -22.0 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.848 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.6 82.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 71.140000000000001 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.5 59.28 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 74.230000000000004 110.954 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.17 77.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 72.120000000000005 112.477 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 72.349999999999994 110.878 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.586 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.75 35.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 75.099999999999994 110.851 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.586 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.28 21.85 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.846 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.49 37.78 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.872 -0.788 . . . . 74.0 108.872 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 114.918 -1.037 . . . . 75.040000000000006 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.926 0.394 . . . . 62.43 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.57 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.019999999999996 110.858 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.88 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.019999999999996 110.883 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.03 12.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 75.329999999999998 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.39 22.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 111.099 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.11 30.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 63.32 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.63 82.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 64.420000000000002 112.502 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.55 59.29 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 74.329999999999998 110.946 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.08 76.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 64.519999999999996 112.52 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.7 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 74.109999999999999 110.919 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.582 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.81 35.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.618 0.723 . . . . 73.129999999999995 110.851 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.582 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.32 21.82 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.224 -0.444 . . . . 74.239999999999995 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.47 37.85 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.875 -0.787 . . . . 52.130000000000003 108.875 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 114.895 -1.048 . . . . 52.409999999999997 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.353 . . . . 64.319999999999993 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.61 35.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -92.93 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.28 -38.12 12.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 111.082 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.05 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 53.329999999999998 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 -13.66 82.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 73.120000000000005 112.49 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.51 59.25 4.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 73.219999999999999 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.19 77.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 74.519999999999996 112.469 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.87 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 62.340000000000003 110.844 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.584 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.44 161.78 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 74.319999999999993 110.83 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.584 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.87 151.28 21.83 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.264 -0.426 . . . . 53.299999999999997 110.877 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.48 37.81 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.855 -0.794 . . . . 65.430000000000007 108.855 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 114.904 -1.043 . . . . 63.210000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.887 0.375 . . . . 74.299999999999997 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.62 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.86 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.26 -38.04 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.38 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 111.077 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.02 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 110.926 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.62 82.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 64.239999999999995 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.53 59.27 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 75.430000000000007 110.928 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.12 76.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 74.120000000000005 112.477 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 72.340000000000003 110.817 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.587 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.74 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.537 0.684 . . . . 73.409999999999997 110.838 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.587 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.26 21.85 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.864 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.897 -0.779 . . . . 71.310000000000002 108.897 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 53.200000000000003 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 70.230000000000004 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.26 149.6 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.010000000000005 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.89 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.540000000000006 110.87 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.06 12.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.41 22.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.299999999999997 111.087 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.07 31.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 65.209999999999994 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 64.439999999999998 112.464 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 73.239999999999995 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 76.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 74.140000000000001 112.477 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 72.019999999999996 110.901 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.571 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.7 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 72.010000000000005 110.86 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.571 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.24 21.9 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.175 -0.466 . . . . 73.420000000000002 110.882 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.75 131.49 37.77 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.873 -0.788 . . . . 75.209999999999994 108.873 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 114.928 -1.033 . . . . 22.300000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 75.329999999999998 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.24 149.59 35.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 70.530000000000001 110.924 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -92.92 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 61.140000000000001 110.883 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.3 -38.09 12.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.030000000000001 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.46 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.420000000000002 111.107 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -22.08 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 64.439999999999998 110.86 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.58 82.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 71.230000000000004 112.479 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.7 mt -90.54 59.33 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 73.310000000000002 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.18 30.17 77.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 71.310000000000002 112.489 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.78 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 61.399999999999999 110.864 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.58 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.33 161.77 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 64.439999999999998 110.858 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.58 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.8 151.26 21.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 110.901 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.87 131.54 37.81 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.829 -0.804 . . . . 61.329999999999998 108.829 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 114.834 -1.075 . . . . 62.109999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.907 0.384 . . . . 53.32 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.62 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 73.420000000000002 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.838 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.26 -38.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.400000000000006 110.935 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 1.42 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.5 111.1 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.69 -22.01 31.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 73.230000000000004 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.55 82.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 70.299999999999997 112.474 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 59.32 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 75.319999999999993 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.2 77.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 74.420000000000002 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.76 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.409999999999997 110.832 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.571 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.77 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.430000000000007 110.859 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.571 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.28 21.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.278 -0.419 . . . . 71.140000000000001 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.8 131.48 37.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.882 -0.785 . . . . 74.319999999999993 108.882 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.938 -1.028 . . . . 31.23 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 61.43 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.6 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -92.91 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.875 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.38 -38.0 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.932 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.41 22.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 71.420000000000002 111.113 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.899 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.53 82.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 72.140000000000001 112.519 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -90.56 59.25 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.875 0.369 . . . . 74.010000000000005 110.924 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.1 76.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 71.030000000000001 112.514 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 70.030000000000001 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.588 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.41 161.76 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.56 0.695 . . . . 72.150000000000006 110.878 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.588 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.25 21.87 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.78 131.49 37.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.87 -0.789 . . . . 71.209999999999994 108.87 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 114.853 -1.067 . . . . 44.409999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 62.229999999999997 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.31 149.56 35.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 70.209999999999994 110.901 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -92.85 -63.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.31 -38.02 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.4 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.540000000000006 111.069 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -22.05 31.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 64.349999999999994 110.858 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 74.409999999999997 112.536 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 73.349999999999994 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 70.299999999999997 112.483 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.76 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 72.140000000000001 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.588 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.42 161.75 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 73.519999999999996 110.89 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.588 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.23 21.91 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.92 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.75 131.5 37.76 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.88 -0.785 . . . . 75.040000000000006 108.88 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 114.861 -1.063 . . . . 55.310000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 73.5 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.34 149.56 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.409999999999997 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.872 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.33 -38.05 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.918 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.4 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.229999999999997 111.091 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.1 31.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.6 82.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 64.019999999999996 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -90.52 59.29 4.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 64.340000000000003 110.936 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.21 77.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 64.439999999999998 112.486 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.85 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 63.43 110.828 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.587 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.44 161.73 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.420000000000002 110.872 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.587 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.78 151.29 21.88 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.25 -0.432 . . . . 74.439999999999998 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.46 37.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.841 -0.799 . . . . 73.040000000000006 108.841 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 114.92 -1.036 . . . . 64.219999999999999 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 63.439999999999998 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.58 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 62.030000000000001 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 110.874 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.33 -38.02 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.39 22.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 111.067 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -22.01 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.841 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 64.200000000000003 112.486 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mp -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.827 0.346 . . . . 74.040000000000006 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.12 76.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 75.040000000000006 112.515 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 65.299999999999997 110.94 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.586 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.34 161.75 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 73.310000000000002 110.869 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.586 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.3 21.84 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.191 -0.458 . . . . 62.240000000000002 110.918 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.8 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.82 -0.808 . . . . 75.200000000000003 108.82 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 114.883 -1.053 . . . . 53.030000000000001 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 70.319999999999993 110.904 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.61 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 63.149999999999999 110.881 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.540000000000006 110.847 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 mt -92.32 -37.97 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.951 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.48 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 64.239999999999995 111.076 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.04 31.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.923 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 34.399999999999999 112.458 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.51 59.23 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 75.239999999999995 110.924 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 71.329999999999998 112.501 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 74.299999999999997 110.885 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.586 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.76 35.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 73.430000000000007 110.87 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.586 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.8 151.25 21.89 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.174 -0.466 . . . . 71.439999999999998 110.916 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.77 131.51 37.76 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.877 -0.786 . . . . 71.120000000000005 108.877 -178.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 114.901 -1.045 . . . . 62.109999999999999 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.86 0.362 . . . . 73.349999999999994 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.59 35.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.219999999999999 110.845 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -92.88 -63.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.340000000000003 110.918 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.29 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 73.439999999999998 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.39 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 111.073 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.17 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 72.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.88 -13.63 82.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 74.219999999999999 112.513 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.49 59.25 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 74.340000000000003 110.908 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.13 76.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 70.019999999999996 112.489 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 74.120000000000005 110.876 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.588 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.41 161.74 35.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.876 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.588 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.88 151.23 21.85 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.226 -0.443 . . . . 65.239999999999995 110.863 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.79 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.884 -0.784 . . . . 72.430000000000007 108.884 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 114.914 -1.039 . . . . 71.420000000000002 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.892 0.377 . . . . 65.450000000000003 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.56 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 51.299999999999997 110.855 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 72.409999999999997 110.892 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.3 mt -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.882 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.44 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 60.450000000000003 111.124 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.02 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 110.901 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.58 82.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.452 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.5 59.26 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 73.319999999999993 110.907 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.16 77.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 71.109999999999999 112.485 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.73 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 73.409999999999997 110.868 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.575 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.74 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 73.209999999999994 110.83 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.575 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.24 21.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 110.95 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.71 131.51 37.73 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.886 -0.783 . . . . 74.109999999999999 108.886 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.88 -1.055 . . . . 62.130000000000003 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.864 0.364 . . . . 71.209999999999994 110.886 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.27 149.61 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.200000000000003 110.914 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -92.9 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 75.019999999999996 110.853 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.3 -38.0 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.933 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.44 22.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.892 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.58 82.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 61.539999999999999 112.445 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.54 59.29 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 63.009999999999998 110.92 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 72.219999999999999 112.505 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.84 86.72 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.099999999999994 110.86 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.588 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.77 35.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 71.25 110.875 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.588 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.24 21.87 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.252 -0.431 . . . . 74.319999999999993 110.882 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.46 37.81 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.866 -0.79 . . . . 70.040000000000006 108.866 -178.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 114.863 -1.062 . . . . 65.349999999999994 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.885 0.374 . . . . 74.219999999999999 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.61 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 70.319999999999993 110.866 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.833 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.28 -38.02 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.924 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.44 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 71.140000000000001 111.087 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.09 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 61.210000000000001 110.866 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.49 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -90.54 59.22 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 72.420000000000002 110.898 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.02 76.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 70.200000000000003 112.489 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.74 86.69 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 74.329999999999998 110.916 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.587 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.74 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.714 . . . . 73.299999999999997 110.83 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.587 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.31 21.84 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.851 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.53 37.8 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.871 -0.788 . . . . 51.119999999999997 108.871 -178.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 114.902 -1.045 . . . . 74.109999999999999 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.875 0.369 . . . . 64.140000000000001 110.837 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.62 35.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 73.420000000000002 110.848 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -92.95 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 72.530000000000001 110.877 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -92.35 -38.06 12.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.909 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.126 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.03 31.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 64.120000000000005 110.86 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.65 82.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 60.009999999999998 112.508 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 64.219999999999999 110.902 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.12 76.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 75.129999999999995 112.501 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.129999999999995 110.862 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.587 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.77 35.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 62.009999999999998 110.878 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.587 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.27 21.86 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.229 -0.441 . . . . 74.109999999999999 110.894 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.46 37.84 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.86 -0.792 . . . . 74.150000000000006 108.86 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 114.878 -1.056 . . . . 73.030000000000001 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 64.25 110.908 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.58 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.894 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -92.91 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 mt -92.28 -38.04 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.948 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.35 22.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 111.11 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.08 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 74.219999999999999 110.89 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 50.109999999999999 112.481 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.48 59.3 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 73.540000000000006 110.924 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.16 77.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 61.539999999999999 112.511 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.64 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 62.140000000000001 110.89 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.586 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.35 161.79 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 73.439999999999998 110.875 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.586 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.28 21.85 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.279 -0.419 . . . . 74.439999999999998 110.849 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.48 37.84 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.899 -0.778 . . . . 64.409999999999997 108.899 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 114.9 -1.045 . . . . 52.229999999999997 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 73.400000000000006 110.883 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.63 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 60.43 110.833 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.826 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -92.3 -38.11 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.909 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.43 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 111.126 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.08 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 110.89 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.64 82.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 52.530000000000001 112.483 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.5 59.33 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 71.150000000000006 110.928 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.15 76.99 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 75.209999999999994 112.478 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.66 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 73.140000000000001 110.893 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.588 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.79 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 73.239999999999995 110.884 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.588 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.78 151.31 21.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.865 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.85 131.53 37.81 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.864 -0.791 . . . . 42.119999999999997 108.864 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.863 -1.062 . . . . 71.329999999999998 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 72.120000000000005 110.9 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.63 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 73.150000000000006 110.853 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.98 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.439999999999998 110.837 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.35 -37.97 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.420000000000002 110.915 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.46 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.077 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.07 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 65.030000000000001 110.877 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.57 82.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 73.099999999999994 112.526 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.56 59.28 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 74.409999999999997 110.882 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.15 30.19 77.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 71.230000000000004 112.515 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 61.229999999999997 110.846 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.588 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.45 161.76 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 74.329999999999998 110.826 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.588 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.74 151.29 21.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.919 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.82 131.48 37.83 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.828 -0.804 . . . . 65.239999999999995 108.828 -178.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.896 -1.047 . . . . 50.530000000000001 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 74.129999999999995 110.861 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.140000000000001 110.901 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 110.867 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.28 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 110.931 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.48 1.41 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 111.064 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 64.109999999999999 110.887 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.020000000000003 112.467 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.54 59.32 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 74.129999999999995 110.903 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.1 76.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 72.019999999999996 112.478 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.75 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 74.329999999999998 110.862 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.588 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.76 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.697 . . . . 74.239999999999995 110.868 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.588 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.87 151.27 21.84 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 110.903 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.51 37.76 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.849 -0.797 . . . . 61.229999999999997 108.849 -178.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 114.916 -1.038 . . . . 72.519999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 71.340000000000003 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.59 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.847 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -92.93 -63.15 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 42.310000000000002 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.33 -38.07 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.150000000000006 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.38 1.43 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 54.219999999999999 111.138 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.1 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 44.009999999999998 110.859 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.61 82.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 70.540000000000006 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.47 59.21 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 65.019999999999996 110.931 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.12 76.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 52.210000000000001 112.483 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.7 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 72.540000000000006 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 65.230000000000004 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.426 0 N-CA-C 110.906 -0.035 . . . . 73.430000000000007 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 108.828 -0.804 . . . . 43.229999999999997 108.828 -178.825 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 74.040000000000006 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.63 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 110.87 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.95 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 62.340000000000003 110.858 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.06 12.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 45.130000000000003 110.924 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.39 22.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 111.153 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.519999999999996 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.340000000000003 112.512 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -90.54 59.25 4.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 73.400000000000006 110.922 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.17 77.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 32.310000000000002 112.499 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.65 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 34.399999999999999 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 75.439999999999998 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.874 -0.047 . . . . 61.25 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.869 -0.789 . . . . 64.540000000000006 108.869 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.859 0.361 . . . . 75.099999999999994 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.59 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 70.5 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 -38.07 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.96 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.44 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 71.040000000000006 111.124 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.05 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 65.519999999999996 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 30.210000000000001 112.482 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -90.54 59.24 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 72.319999999999993 110.929 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.15 76.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 42.439999999999998 112.502 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 73.310000000000002 110.89 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 72.150000000000006 110.825 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.468 0 CA-C-O 120.029 -0.034 . . . . 63.340000000000003 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 108.843 -0.799 . . . . 75.420000000000002 108.843 -178.846 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.349 . . . . 51.450000000000003 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.239999999999995 110.87 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -92.92 -63.2 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.883 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 53.119999999999997 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.4 22.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.530000000000001 111.097 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.01 31.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 52.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 55.32 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.55 59.28 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 71.140000000000001 110.933 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 73.200000000000003 112.523 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.73 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 45.299999999999997 110.846 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 73.209999999999994 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.893 -0.04 . . . . 71.049999999999997 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.872 -0.788 . . . . 54.130000000000003 108.872 -178.835 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 62.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 70.109999999999999 110.921 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -92.88 -63.14 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.918 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.32 -38.07 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 52.210000000000001 111.105 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.450000000000003 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.53 82.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 72.299999999999997 112.507 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.57 59.27 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 70.540000000000006 110.908 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.1 76.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 52.240000000000002 112.52 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 74.319999999999993 110.875 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 71.140000000000001 110.846 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.464 0 N-CA-C 110.882 -0.044 . . . . 71.209999999999994 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.868 -0.79 . . . . 63.439999999999998 108.868 -178.85 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 51.219999999999999 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.59 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 53.229999999999997 110.863 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.87 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.38 -37.98 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.42 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 50.530000000000001 111.079 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.07 31.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.329999999999998 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.57 82.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 41.039999999999999 112.477 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.6 59.3 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 74.040000000000006 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 63.450000000000003 112.504 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 50.520000000000003 110.879 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 64.209999999999994 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.422 0 N-CA-C 110.886 -0.042 . . . . 73.430000000000007 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 108.889 -0.782 . . . . 73.099999999999994 108.889 -178.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 64.450000000000003 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.6 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 64.040000000000006 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -92.95 -63.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.099999999999994 110.866 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.27 -38.05 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.450000000000003 110.936 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.37 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 62.229999999999997 111.098 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 70.409999999999997 110.914 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 51.229999999999997 112.493 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.53 59.22 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 72.239999999999995 110.889 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.16 77.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 70.420000000000002 112.455 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.79 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 73.219999999999999 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.546 0.688 . . . . 75.540000000000006 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.453 0 N-CA-C 110.874 -0.047 . . . . 74.140000000000001 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.879 -0.786 . . . . 74.319999999999993 108.879 -178.848 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 50.210000000000001 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.230000000000004 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.97 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.831 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.31 -38.08 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 65.530000000000001 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.38 22.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 61.43 111.118 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.06 31.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.55 82.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.430000000000007 112.492 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -90.56 59.31 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 71.200000000000003 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.17 30.21 77.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 73.25 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 54.420000000000002 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 74.420000000000002 110.9 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.463 0 N-CA-C 110.872 -0.047 . . . . 62.219999999999999 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.863 -0.792 . . . . 61.140000000000001 108.863 -178.821 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.863 0.363 . . . . 73.219999999999999 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.58 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.91 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.200000000000003 110.889 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.07 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 72.530000000000001 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.37 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.107 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -22.08 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.409999999999997 110.891 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.56 82.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 74.349999999999994 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -90.59 59.34 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 74.209999999999994 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.09 76.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 61.530000000000001 112.509 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 71.519999999999996 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 72.409999999999997 110.866 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.469 0 N-CA-C 110.874 -0.047 . . . . 72.420000000000002 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 108.871 -0.789 . . . . 74.030000000000001 108.871 -178.839 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 75.420000000000002 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.58 35.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -92.93 -63.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 51.43 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.37 -38.04 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 111.146 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -22.0 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 44.329999999999998 110.848 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.6 82.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 71.140000000000001 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.5 59.28 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 73.209999999999994 110.954 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.17 77.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 62.109999999999999 112.477 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 72.349999999999994 110.878 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.150000000000006 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.412 0 N-CA-C 110.846 -0.057 . . . . 75.129999999999995 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 108.872 -0.788 . . . . 53.420000000000002 108.872 -178.837 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.926 0.394 . . . . 62.43 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.57 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.019999999999996 110.858 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.88 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 64.409999999999997 110.883 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.03 12.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 73.150000000000006 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.39 22.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 111.099 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.11 30.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 62.350000000000001 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.63 82.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 22.120000000000001 112.502 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.55 59.29 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 74.329999999999998 110.946 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.08 76.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 54.100000000000001 112.52 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.7 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 73.120000000000005 110.919 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.618 0.723 . . . . 72.120000000000005 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.478 0 N-CA-C 110.85 -0.056 . . . . 72.219999999999999 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.875 -0.787 . . . . 41.310000000000002 108.875 -178.849 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.353 . . . . 61.039999999999999 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.61 35.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -92.93 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.200000000000003 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.28 -38.12 12.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 41.219999999999999 111.082 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.05 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 53.329999999999998 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 -13.66 82.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 31.43 112.49 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.51 59.25 4.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 53.229999999999997 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.19 77.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 74.519999999999996 112.469 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.87 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 62.340000000000003 110.844 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 74.319999999999993 110.83 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.459 0 N-CA-C 110.877 -0.046 . . . . 53.299999999999997 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 108.855 -0.794 . . . . 65.430000000000007 108.855 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.887 0.375 . . . . 65.219999999999999 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.62 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.86 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.26 -38.04 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.38 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 111.077 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.02 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 110.926 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.62 82.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 63.130000000000003 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.53 59.27 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 63.420000000000002 110.928 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.12 76.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 74.120000000000005 112.477 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 72.340000000000003 110.817 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.537 0.684 . . . . 62.219999999999999 110.838 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.447 0 N-CA-C 110.864 -0.05 . . . . 72.239999999999995 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 108.897 -0.779 . . . . 42.420000000000002 108.897 -178.861 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 70.230000000000004 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.26 149.6 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.010000000000005 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.89 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.540000000000006 110.87 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.06 12.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.41 22.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.299999999999997 111.087 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.07 31.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 65.209999999999994 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 64.439999999999998 112.464 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 73.239999999999995 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 76.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 74.140000000000001 112.477 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 72.019999999999996 110.901 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 72.010000000000005 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.46 0 N-CA-C 110.882 -0.044 . . . . 64.049999999999997 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.873 -0.788 . . . . 75.209999999999994 108.873 -178.851 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 75.329999999999998 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.24 149.59 35.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 70.530000000000001 110.924 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -92.92 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 52.310000000000002 110.883 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.3 -38.09 12.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.010000000000005 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.46 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.420000000000002 111.107 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -22.08 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 33.310000000000002 110.86 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.58 82.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 71.230000000000004 112.479 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.7 mt -90.54 59.33 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 73.310000000000002 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.18 30.17 77.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 53.130000000000003 112.489 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.78 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 61.030000000000001 110.864 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 64.439999999999998 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.405 0 N-CA-C 110.901 -0.037 . . . . 74.140000000000001 110.901 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.829 -0.804 . . . . 53.530000000000001 108.829 -178.839 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.907 0.384 . . . . 44.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.62 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 73.420000000000002 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.340000000000003 110.838 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.26 -38.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.935 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 1.42 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.5 111.1 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.69 -22.01 31.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 62.520000000000003 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.55 82.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 70.299999999999997 112.474 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 59.32 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 75.319999999999993 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.2 77.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 74.420000000000002 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.76 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.409999999999997 110.832 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.430000000000007 110.859 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.483 0 N-CA-C 110.886 -0.042 . . . . 71.140000000000001 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.882 -0.785 . . . . 74.319999999999993 108.882 -178.83 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 61.43 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.6 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -92.91 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 53.219999999999999 110.875 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.38 -38.0 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.932 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.41 22.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 63.200000000000003 111.113 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.010000000000005 110.899 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.53 82.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 72.140000000000001 112.519 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -90.56 59.25 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.875 0.369 . . . . 72.340000000000003 110.924 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.1 76.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 64.310000000000002 112.514 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 62.229999999999997 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.56 0.695 . . . . 64.239999999999995 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.896 -0.038 . . . . 72.510000000000005 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.87 -0.789 . . . . 71.209999999999994 108.87 -178.854 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 53.409999999999997 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.31 149.56 35.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 70.209999999999994 110.901 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -92.85 -63.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.240000000000002 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.31 -38.02 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.4 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 111.069 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -22.05 31.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 64.349999999999994 110.858 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 63.229999999999997 112.536 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 72.219999999999999 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 51.229999999999997 112.483 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.76 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 72.140000000000001 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 70.239999999999995 110.89 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.471 0 N-CA-C 110.92 -0.03 . . . . 74.409999999999997 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.88 -0.785 . . . . 75.040000000000006 108.88 -178.88 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 73.5 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.34 149.56 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 61.130000000000003 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 71.519999999999996 110.872 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.33 -38.05 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.918 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 8' ' ' LEU . . . -78.41 1.4 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.229999999999997 111.091 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.1 31.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.6 82.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 64.019999999999996 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 5' ' ' ALA . 1.1 mt -90.52 59.29 4.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 64.340000000000003 110.936 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.21 77.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 60.549999999999997 112.486 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.85 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 63.43 110.828 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.420000000000002 110.872 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.453 0 N-CA-C 110.885 -0.043 . . . . 72.340000000000003 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 108.841 -0.799 . . . . 73.040000000000006 108.841 -178.83 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 32.009999999999998 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.58 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 62.030000000000001 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.129999999999995 110.874 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.33 -38.02 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.39 22.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 111.067 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -22.01 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.841 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 64.200000000000003 112.486 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mp -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.827 0.346 . . . . 65.439999999999998 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.12 76.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 75.040000000000006 112.515 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 65.299999999999997 110.94 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 65.200000000000003 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.017 -0.039 . . . . 62.240000000000002 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 108.82 -0.808 . . . . 75.200000000000003 108.82 -178.804 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 70.319999999999993 110.904 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.61 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 63.149999999999999 110.881 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.439999999999998 110.847 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 mt -92.32 -37.97 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.129999999999995 110.951 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.48 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 61.020000000000003 111.076 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.04 31.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.240000000000002 110.923 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 34.399999999999999 112.458 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.51 59.23 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 75.239999999999995 110.924 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 71.329999999999998 112.501 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 74.299999999999997 110.885 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 61.130000000000003 110.87 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.449 0 N-CA-C 110.916 -0.031 . . . . 71.439999999999998 110.916 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.877 -0.786 . . . . 71.120000000000005 108.877 -178.834 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.86 0.362 . . . . 73.219999999999999 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.59 35.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.109999999999999 110.845 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -92.88 -63.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.340000000000003 110.918 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.29 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.349999999999994 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.39 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 111.073 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.17 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.240000000000002 110.872 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.88 -13.63 82.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 71.219999999999999 112.513 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.49 59.25 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 61.43 110.908 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.13 76.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 70.019999999999996 112.489 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 74.120000000000005 110.876 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.876 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.424 0 N-CA-C 110.863 -0.051 . . . . 54.299999999999997 110.863 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 108.884 -0.784 . . . . 45.32 108.884 -178.839 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.892 0.377 . . . . 53.340000000000003 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.56 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 51.020000000000003 110.855 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 72.409999999999997 110.892 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.3 mt -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.420000000000002 110.882 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.44 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 52.350000000000001 111.124 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.02 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 110.901 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.58 82.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.452 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.5 59.26 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 64.439999999999998 110.907 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.16 77.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 41.439999999999998 112.485 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.73 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 73.409999999999997 110.868 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 72.329999999999998 110.83 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.494 0 CA-C-O 120.017 -0.04 . . . . 73.319999999999993 110.95 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 108.886 -0.783 . . . . 71.319999999999993 108.886 -178.843 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.864 0.364 . . . . 63.149999999999999 110.886 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.27 149.61 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.914 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -92.9 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 75.019999999999996 110.853 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.3 -38.0 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.933 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.44 22.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.892 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.58 82.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 61.539999999999999 112.445 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.54 59.29 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 63.009999999999998 110.92 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 64.140000000000001 112.505 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.84 86.72 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.099999999999994 110.86 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 71.25 110.875 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.882 -0.044 . . . . 73.099999999999994 110.882 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 108.866 -0.79 . . . . 70.040000000000006 108.866 -178.858 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.885 0.374 . . . . 52.450000000000003 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.61 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 52.32 110.866 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.349999999999994 110.833 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.28 -38.02 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 71.310000000000002 110.924 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.44 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 44.32 111.087 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.09 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 61.210000000000001 110.866 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.49 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -90.54 59.22 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 71.319999999999993 110.898 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.02 76.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 62.439999999999998 112.489 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.74 86.69 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 64.109999999999999 110.916 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.714 . . . . 72.409999999999997 110.83 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.457 0 N-CA-C 110.851 -0.055 . . . . 74.25 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.871 -0.788 . . . . 42.530000000000001 108.871 -178.83 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.875 0.369 . . . . 62.340000000000003 110.837 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.62 35.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.319999999999993 110.848 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -92.95 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 72.530000000000001 110.877 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -92.35 -38.06 12.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.909 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.126 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.03 31.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 64.120000000000005 110.86 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.65 82.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 42.32 112.508 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 64.219999999999999 110.902 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.12 76.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 45.240000000000002 112.501 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.129999999999995 110.862 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 62.009999999999998 110.878 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.486 0 N-CA-C 110.894 -0.039 . . . . 53.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 108.86 -0.792 . . . . 74.150000000000006 108.86 -178.838 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 64.25 110.908 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.58 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 45.219999999999999 110.894 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -92.91 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 mt -92.28 -38.04 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.948 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.35 22.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 111.11 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.08 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 74.219999999999999 110.89 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 40.5 112.481 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.48 59.3 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 70.230000000000004 110.924 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.16 77.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 33.530000000000001 112.511 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.64 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 62.140000000000001 110.89 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 73.439999999999998 110.875 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.444 0 N-CA-C 110.849 -0.056 . . . . 73.040000000000006 110.849 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 108.899 -0.778 . . . . 64.409999999999997 108.899 -178.868 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 73.400000000000006 110.883 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.63 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 45.119999999999997 110.833 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.826 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -92.3 -38.11 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 75.430000000000007 110.909 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.43 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 111.126 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.08 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 54.25 110.89 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.64 82.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 42.43 112.483 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.5 59.33 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 62.229999999999997 110.928 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.15 76.99 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 75.209999999999994 112.478 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.66 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 72.219999999999999 110.893 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 73.239999999999995 110.884 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.452 0 N-CA-C 110.865 -0.05 . . . . 63.5 110.865 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.864 -0.791 . . . . 34.210000000000001 108.864 -178.868 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 72.120000000000005 110.9 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.63 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 63.409999999999997 110.853 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.98 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.439999999999998 110.837 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.35 -37.97 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.420000000000002 110.915 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.46 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.077 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.07 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 65.030000000000001 110.877 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.57 82.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 73.099999999999994 112.526 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.56 59.28 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 65.209999999999994 110.882 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.15 30.19 77.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 71.230000000000004 112.515 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 54.530000000000001 110.846 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 74.140000000000001 110.826 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.014 -0.041 . . . . 74.329999999999998 110.919 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.828 -0.804 . . . . 65.239999999999995 108.828 -178.824 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 74.129999999999995 110.861 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.140000000000001 110.901 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 65.310000000000002 110.867 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.28 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.109999999999999 110.931 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.48 1.41 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 51.329999999999998 111.064 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 64.109999999999999 110.887 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.020000000000003 112.467 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.54 59.32 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 74.129999999999995 110.903 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.1 76.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 72.019999999999996 112.478 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.75 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 73.439999999999998 110.862 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.697 . . . . 74.049999999999997 110.868 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.473 0 CA-C-O 120.017 -0.04 . . . . 63.409999999999997 110.903 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.849 -0.797 . . . . 61.229999999999997 108.849 -178.819 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 71.340000000000003 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.59 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.847 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -92.93 -63.15 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 42.310000000000002 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.33 -38.07 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.150000000000006 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.38 1.43 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 54.219999999999999 111.138 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.1 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 44.009999999999998 110.859 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.61 82.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 70.540000000000006 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.47 59.21 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 65.019999999999996 110.931 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.12 76.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 52.210000000000001 112.483 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.7 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 72.540000000000006 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.594 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.38 161.75 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 65.230000000000004 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.594 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.24 21.87 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.51 37.79 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.828 -0.804 . . . . 43.229999999999997 108.828 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.85 -1.068 . . . . 70.010000000000005 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 74.040000000000006 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.63 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 110.87 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.95 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 62.340000000000003 110.858 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.06 12.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 45.130000000000003 110.924 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.39 22.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 74.230000000000004 111.153 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.519999999999996 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.340000000000003 112.512 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -90.54 59.25 4.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 73.400000000000006 110.922 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.17 77.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 32.310000000000002 112.499 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.65 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 34.399999999999999 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.72 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 75.439999999999998 110.845 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.585 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.29 21.84 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.215 -0.448 . . . . 61.25 110.874 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.52 37.79 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.869 -0.789 . . . . 64.540000000000006 108.869 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 114.877 -1.056 . . . . 24.309999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.859 0.361 . . . . 75.099999999999994 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.59 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 70.5 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 -38.07 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.96 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.44 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 71.040000000000006 111.124 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.05 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 65.519999999999996 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 30.210000000000001 112.482 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -90.54 59.24 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 72.319999999999993 110.929 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.15 76.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 42.439999999999998 112.502 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 73.310000000000002 110.89 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.595 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.42 161.75 35.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 72.150000000000006 110.825 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.595 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.3 21.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.215 -0.448 . . . . 63.340000000000003 110.913 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.87 131.54 37.8 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.843 -0.799 . . . . 75.420000000000002 108.843 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 114.891 -1.05 . . . . 35.310000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.349 . . . . 51.450000000000003 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.239999999999995 110.87 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -92.92 -63.2 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.883 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 53.119999999999997 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.4 22.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.530000000000001 111.097 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.01 31.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 52.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 55.32 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.55 59.28 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 71.140000000000001 110.933 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 73.200000000000003 112.523 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.73 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 45.299999999999997 110.846 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.45 161.7 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 73.209999999999994 110.88 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.81 151.27 21.87 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.209 -0.45 . . . . 71.049999999999997 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.44 37.85 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.872 -0.788 . . . . 54.130000000000003 108.872 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 114.929 -1.032 . . . . 11.44 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 62.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 70.109999999999999 110.921 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -92.88 -63.14 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.918 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.32 -38.07 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 52.210000000000001 111.105 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.450000000000003 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.53 82.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 72.299999999999997 112.507 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.57 59.27 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 70.540000000000006 110.908 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.1 76.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 52.240000000000002 112.52 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 74.319999999999993 110.875 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.83 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 71.140000000000001 110.846 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.27 21.87 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.256 -0.429 . . . . 71.209999999999994 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.82 131.51 37.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.868 -0.79 . . . . 63.439999999999998 108.868 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 114.929 -1.032 . . . . 24.449999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 51.219999999999999 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.59 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 53.229999999999997 110.863 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.87 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.38 -37.98 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.42 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 50.530000000000001 111.079 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.07 31.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.329999999999998 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.57 82.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 41.039999999999999 112.477 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.6 59.3 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 74.040000000000006 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 63.450000000000003 112.504 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 50.520000000000003 110.879 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.591 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.79 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 64.209999999999994 110.879 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.591 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.29 21.86 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.2 -0.454 . . . . 73.430000000000007 110.886 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.78 131.46 37.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.889 -0.782 . . . . 73.099999999999994 108.889 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 114.871 -1.059 . . . . 13.42 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 64.450000000000003 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.6 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 64.040000000000006 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -92.95 -63.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.099999999999994 110.866 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.27 -38.05 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.450000000000003 110.936 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.37 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 62.229999999999997 111.098 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 70.409999999999997 110.914 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 51.229999999999997 112.493 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.53 59.22 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 72.239999999999995 110.889 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.16 77.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 70.420000000000002 112.455 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.79 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 73.219999999999999 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.592 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.71 35.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.546 0.688 . . . . 75.540000000000006 110.886 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.592 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.27 21.86 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.874 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.8 131.54 37.77 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.879 -0.786 . . . . 74.319999999999993 108.879 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 114.909 -1.041 . . . . 25.129999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 50.210000000000001 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.230000000000004 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.97 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.831 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.31 -38.08 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 65.530000000000001 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.38 22.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 61.43 111.118 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.06 31.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.55 82.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.430000000000007 112.492 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -90.56 59.31 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 71.200000000000003 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.17 30.21 77.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 73.25 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 54.420000000000002 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.596 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.75 35.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 74.420000000000002 110.9 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.596 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.89 151.28 21.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.216 -0.447 . . . . 62.219999999999999 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.48 37.83 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.863 -0.792 . . . . 61.140000000000001 108.863 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.872 -1.058 . . . . 2.52 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.863 0.363 . . . . 73.219999999999999 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.58 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.91 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.200000000000003 110.889 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.07 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 72.530000000000001 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.37 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.107 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -22.08 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.409999999999997 110.891 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.56 82.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 74.349999999999994 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -90.59 59.34 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 74.209999999999994 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.09 76.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 61.530000000000001 112.509 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 71.519999999999996 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.59 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.35 161.77 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 72.409999999999997 110.866 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.59 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.77 151.32 21.87 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.91 131.5 37.88 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.871 -0.789 . . . . 74.030000000000001 108.871 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 114.875 -1.057 . . . . 40.130000000000003 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 75.420000000000002 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.58 35.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -92.93 -63.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 51.43 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.37 -38.04 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 111.146 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -22.0 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 44.329999999999998 110.848 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.6 82.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 71.140000000000001 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.5 59.28 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 73.209999999999994 110.954 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.17 77.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 62.109999999999999 112.477 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 72.349999999999994 110.878 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.75 35.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.150000000000006 110.851 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.28 21.85 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.227 -0.442 . . . . 75.129999999999995 110.846 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.49 37.78 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.872 -0.788 . . . . 53.420000000000002 108.872 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 114.918 -1.037 . . . . 42.109999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.926 0.394 . . . . 62.43 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.57 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.019999999999996 110.858 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.88 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 64.409999999999997 110.883 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.03 12.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 73.150000000000006 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.39 22.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 111.099 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.11 30.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 62.350000000000001 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.63 82.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 22.120000000000001 112.502 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.55 59.29 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 74.329999999999998 110.946 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.08 76.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 54.100000000000001 112.52 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.7 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 73.120000000000005 110.919 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.593 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.81 35.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.618 0.723 . . . . 72.120000000000005 110.851 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.593 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.32 21.82 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.224 -0.444 . . . . 72.219999999999999 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.47 37.85 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.875 -0.787 . . . . 41.310000000000002 108.875 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 114.895 -1.048 . . . . 52.409999999999997 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.353 . . . . 61.039999999999999 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.61 35.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -92.93 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.200000000000003 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.28 -38.12 12.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 41.219999999999999 111.082 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.05 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 53.329999999999998 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 -13.66 82.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 31.43 112.49 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.51 59.25 4.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 53.229999999999997 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.19 77.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 74.519999999999996 112.469 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.87 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 62.340000000000003 110.844 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.596 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.44 161.78 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 74.319999999999993 110.83 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.596 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.87 151.28 21.83 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.264 -0.426 . . . . 53.299999999999997 110.877 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.48 37.81 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.855 -0.794 . . . . 65.430000000000007 108.855 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 114.904 -1.043 . . . . 14.029999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.887 0.375 . . . . 65.219999999999999 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.62 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.86 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.26 -38.04 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.38 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 111.077 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.02 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.019999999999996 110.926 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.62 82.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 63.130000000000003 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.53 59.27 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 63.420000000000002 110.928 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.12 76.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 74.120000000000005 112.477 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 72.340000000000003 110.817 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.597 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.74 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.537 0.684 . . . . 62.219999999999999 110.838 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.597 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.26 21.85 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.864 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.897 -0.779 . . . . 42.420000000000002 108.897 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 1.51 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 70.230000000000004 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.26 149.6 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.010000000000005 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.89 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.540000000000006 110.87 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.06 12.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.41 22.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.299999999999997 111.087 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.07 31.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 65.209999999999994 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 64.439999999999998 112.464 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 73.239999999999995 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 76.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 74.140000000000001 112.477 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 72.019999999999996 110.901 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.58 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.7 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 72.010000000000005 110.86 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.58 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.24 21.9 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.175 -0.466 . . . . 64.049999999999997 110.882 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.75 131.49 37.77 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.873 -0.788 . . . . 75.209999999999994 108.873 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 114.928 -1.033 . . . . 21.440000000000001 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 75.329999999999998 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.24 149.59 35.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 70.530000000000001 110.924 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -92.92 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 52.310000000000002 110.883 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.3 -38.09 12.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.010000000000005 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.46 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.420000000000002 111.107 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -22.08 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 33.310000000000002 110.86 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.58 82.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 71.230000000000004 112.479 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.7 mt -90.54 59.33 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 73.310000000000002 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.18 30.17 77.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 53.130000000000003 112.489 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.78 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 61.030000000000001 110.864 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.591 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.33 161.77 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 64.439999999999998 110.858 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.591 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.8 151.26 21.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.23 -0.441 . . . . 74.140000000000001 110.901 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.87 131.54 37.81 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.829 -0.804 . . . . 53.530000000000001 108.829 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 114.834 -1.075 . . . . 62.109999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.907 0.384 . . . . 44.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.62 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 73.420000000000002 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.340000000000003 110.838 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.26 -38.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.935 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 1.42 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.5 111.1 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.69 -22.01 31.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 62.520000000000003 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.55 82.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 70.299999999999997 112.474 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 59.32 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 75.319999999999993 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.2 77.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 74.420000000000002 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.76 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.409999999999997 110.832 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.58 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.77 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.430000000000007 110.859 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.58 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.28 21.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.278 -0.419 . . . . 71.140000000000001 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.8 131.48 37.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.882 -0.785 . . . . 74.319999999999993 108.882 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.938 -1.028 . . . . 31.23 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 61.43 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.6 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -92.91 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 53.219999999999999 110.875 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.38 -38.0 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.932 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.41 22.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 63.200000000000003 111.113 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.010000000000005 110.899 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.53 82.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 72.140000000000001 112.519 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -90.56 59.25 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.875 0.369 . . . . 72.340000000000003 110.924 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.1 76.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 64.310000000000002 112.514 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 62.229999999999997 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.6 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.41 161.76 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.56 0.695 . . . . 64.239999999999995 110.878 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.6 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.25 21.87 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.78 131.49 37.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.87 -0.789 . . . . 71.209999999999994 108.87 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 114.853 -1.067 . . . . 44.409999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 53.409999999999997 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.31 149.56 35.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 70.209999999999994 110.901 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -92.85 -63.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.240000000000002 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.31 -38.02 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.4 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 111.069 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -22.05 31.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 64.349999999999994 110.858 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 63.229999999999997 112.536 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 72.219999999999999 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 51.229999999999997 112.483 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.76 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 72.140000000000001 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.42 161.75 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 70.239999999999995 110.89 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.23 21.91 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.92 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.75 131.5 37.76 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.88 -0.785 . . . . 75.040000000000006 108.88 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 114.861 -1.063 . . . . 55.310000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 73.5 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.34 149.56 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 61.130000000000003 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 71.519999999999996 110.872 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.33 -38.05 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.918 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 8' ' ' LEU . . . -78.41 1.4 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.229999999999997 111.091 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.1 31.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.6 82.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 64.019999999999996 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 5' ' ' ALA . 1.1 mt -90.52 59.29 4.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 64.340000000000003 110.936 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.21 77.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 60.549999999999997 112.486 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.85 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 63.43 110.828 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.44 161.73 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.420000000000002 110.872 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.78 151.29 21.88 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.25 -0.432 . . . . 72.340000000000003 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.46 37.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.841 -0.799 . . . . 73.040000000000006 108.841 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 114.92 -1.036 . . . . 31.34 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 32.009999999999998 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.58 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 62.030000000000001 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.129999999999995 110.874 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.33 -38.02 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.39 22.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 111.067 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -22.01 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.841 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 64.200000000000003 112.486 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mp -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.827 0.346 . . . . 65.439999999999998 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.12 76.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 75.040000000000006 112.515 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 65.299999999999997 110.94 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.34 161.75 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 65.200000000000003 110.869 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.3 21.84 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.191 -0.458 . . . . 62.240000000000002 110.918 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.8 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.82 -0.808 . . . . 75.200000000000003 108.82 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 114.883 -1.053 . . . . 4.1200000000000001 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 70.319999999999993 110.904 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.61 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 63.149999999999999 110.881 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.439999999999998 110.847 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 mt -92.32 -37.97 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.129999999999995 110.951 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.48 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 61.020000000000003 111.076 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.04 31.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.240000000000002 110.923 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 34.399999999999999 112.458 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.51 59.23 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 75.239999999999995 110.924 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 71.329999999999998 112.501 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 74.299999999999997 110.885 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.597 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.76 35.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 61.130000000000003 110.87 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.597 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.8 151.25 21.89 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.174 -0.466 . . . . 71.439999999999998 110.916 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.77 131.51 37.76 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.877 -0.786 . . . . 71.120000000000005 108.877 -178.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 114.901 -1.045 . . . . 62.109999999999999 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.86 0.362 . . . . 73.219999999999999 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.59 35.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.109999999999999 110.845 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -92.88 -63.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.340000000000003 110.918 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.29 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.349999999999994 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.39 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 111.073 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.17 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.240000000000002 110.872 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.88 -13.63 82.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 71.219999999999999 112.513 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.49 59.25 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 61.43 110.908 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.13 76.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 70.019999999999996 112.489 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 74.120000000000005 110.876 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.41 161.74 35.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.876 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.88 151.23 21.85 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.226 -0.443 . . . . 54.299999999999997 110.863 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.79 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.884 -0.784 . . . . 45.32 108.884 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 114.914 -1.039 . . . . 71.420000000000002 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.892 0.377 . . . . 53.340000000000003 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.56 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 51.020000000000003 110.855 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 72.409999999999997 110.892 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.3 mt -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.420000000000002 110.882 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.44 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 52.350000000000001 111.124 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.02 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 110.901 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.58 82.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.452 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.5 59.26 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 64.439999999999998 110.907 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.16 77.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 41.439999999999998 112.485 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.73 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 73.409999999999997 110.868 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.74 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 72.329999999999998 110.83 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.585 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.24 21.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 110.95 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.71 131.51 37.73 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.886 -0.783 . . . . 71.319999999999993 108.886 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.88 -1.055 . . . . 62.130000000000003 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.864 0.364 . . . . 63.149999999999999 110.886 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.27 149.61 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.914 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -92.9 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 75.019999999999996 110.853 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.3 -38.0 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.933 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.44 22.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.409999999999997 110.892 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.58 82.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 61.539999999999999 112.445 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.54 59.29 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 63.009999999999998 110.92 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 64.140000000000001 112.505 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.84 86.72 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.099999999999994 110.86 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.77 35.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 71.25 110.875 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.24 21.87 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.882 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.46 37.81 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.866 -0.79 . . . . 70.040000000000006 108.866 -178.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 114.863 -1.062 . . . . 1.4099999999999999 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.885 0.374 . . . . 52.450000000000003 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.61 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 52.32 110.866 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.349999999999994 110.833 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.28 -38.02 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 71.310000000000002 110.924 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.44 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 44.32 111.087 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.09 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 61.210000000000001 110.866 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.49 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -90.54 59.22 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 71.319999999999993 110.898 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.02 76.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 62.439999999999998 112.489 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.74 86.69 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 64.109999999999999 110.916 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.74 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.714 . . . . 72.409999999999997 110.83 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.31 21.84 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.851 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.53 37.8 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.871 -0.788 . . . . 42.530000000000001 108.871 -178.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 114.902 -1.045 . . . . 45.240000000000002 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.875 0.369 . . . . 62.340000000000003 110.837 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.62 35.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.319999999999993 110.848 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -92.95 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 72.530000000000001 110.877 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -92.35 -38.06 12.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.909 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.126 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.03 31.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 64.120000000000005 110.86 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.65 82.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 42.32 112.508 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 64.219999999999999 110.902 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.12 76.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 45.240000000000002 112.501 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.129999999999995 110.862 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.77 35.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 62.009999999999998 110.878 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.27 21.86 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.229 -0.441 . . . . 53.340000000000003 110.894 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.46 37.84 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.86 -0.792 . . . . 74.150000000000006 108.86 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 114.878 -1.056 . . . . 73.030000000000001 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 64.25 110.908 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.58 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 45.219999999999999 110.894 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -92.91 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 mt -92.28 -38.04 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.948 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.35 22.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 111.11 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.08 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 74.219999999999999 110.89 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 40.5 112.481 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.48 59.3 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 70.230000000000004 110.924 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.16 77.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 33.530000000000001 112.511 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.64 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 62.140000000000001 110.89 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.597 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.35 161.79 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 73.439999999999998 110.875 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.597 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.28 21.85 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.279 -0.419 . . . . 73.040000000000006 110.849 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.48 37.84 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.899 -0.778 . . . . 64.409999999999997 108.899 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 114.9 -1.045 . . . . 21.109999999999999 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 73.400000000000006 110.883 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.63 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 45.119999999999997 110.833 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.826 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -92.3 -38.11 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 75.430000000000007 110.909 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.43 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 111.126 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.08 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 54.25 110.89 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.64 82.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 42.43 112.483 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.5 59.33 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 62.229999999999997 110.928 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.15 76.99 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 75.209999999999994 112.478 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.66 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 72.219999999999999 110.893 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.79 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 73.239999999999995 110.884 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.78 151.31 21.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.185 -0.461 . . . . 63.5 110.865 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.85 131.53 37.81 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.864 -0.791 . . . . 34.210000000000001 108.864 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.863 -1.062 . . . . 71.329999999999998 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 72.120000000000005 110.9 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.63 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 63.409999999999997 110.853 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.98 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.439999999999998 110.837 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.35 -37.97 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.420000000000002 110.915 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.46 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.077 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.07 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 65.030000000000001 110.877 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.57 82.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 73.099999999999994 112.526 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.56 59.28 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 65.209999999999994 110.882 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.15 30.19 77.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 71.230000000000004 112.515 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 54.530000000000001 110.846 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.45 161.76 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 74.140000000000001 110.826 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.74 151.29 21.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.919 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.82 131.48 37.83 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.828 -0.804 . . . . 65.239999999999995 108.828 -178.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.896 -1.047 . . . . 50.530000000000001 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 74.129999999999995 110.861 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.140000000000001 110.901 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 65.310000000000002 110.867 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.28 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.109999999999999 110.931 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.48 1.41 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 51.329999999999998 111.064 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 64.109999999999999 110.887 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.020000000000003 112.467 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.54 59.32 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 74.129999999999995 110.903 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.1 76.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 72.019999999999996 112.478 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.75 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 73.439999999999998 110.862 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.76 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.697 . . . . 74.049999999999997 110.868 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.87 151.27 21.84 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.22 -0.445 . . . . 63.409999999999997 110.903 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.51 37.76 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.849 -0.797 . . . . 61.229999999999997 108.849 -178.819 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 114.916 -1.038 . . . . 72.519999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 71.34 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.59 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.847 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -92.93 -63.15 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 42.31 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.33 -38.07 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.15 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.38 1.43 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 54.22 111.138 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.1 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 44.01 110.859 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.61 82.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 70.54 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.47 59.21 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 65.02 110.931 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.12 76.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 52.21 112.483 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.7 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 72.54 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 65.23 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.426 0 N-CA-C 110.906 -0.035 . . . . 73.43 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.453 0 N-CA-C 108.828 -0.804 . . . . 43.23 108.828 -178.825 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 74.04 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.63 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.87 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.95 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 62.34 110.858 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.06 12.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 45.13 110.924 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.39 22.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.153 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.34 112.512 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -90.54 59.25 4.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 73.4 110.922 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.17 77.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 32.31 112.499 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.65 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 34.4 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 75.44 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.874 -0.047 . . . . 61.25 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.869 -0.789 . . . . 64.54 108.869 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.859 0.361 . . . . 75.1 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.59 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 70.5 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 -38.07 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.96 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.44 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 71.04 111.124 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.05 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 65.52 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 30.21 112.482 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -90.54 59.24 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 72.32 110.929 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.15 76.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 42.44 112.502 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 73.31 110.89 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 72.15 110.825 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.468 0 CA-C-O 120.029 -0.034 . . . . 63.34 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 108.843 -0.799 . . . . 75.42 108.843 -178.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.349 . . . . 51.45 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.24 110.87 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -92.92 -63.2 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.883 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 53.12 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.4 22.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.53 111.097 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.01 31.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 52.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 55.32 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.55 59.28 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 71.14 110.933 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 73.2 112.523 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.73 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 45.3 110.846 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 73.21 110.88 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.893 -0.04 . . . . 71.05 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.872 -0.788 . . . . 54.13 108.872 -178.835 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 62.14 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.921 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -92.88 -63.14 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.918 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.32 -38.07 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 52.21 111.105 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.53 82.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 72.3 112.507 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.57 59.27 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 70.54 110.908 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.1 76.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 52.24 112.52 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 74.32 110.875 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 71.14 110.846 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.464 0 N-CA-C 110.882 -0.044 . . . . 71.21 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 108.868 -0.79 . . . . 63.44 108.868 -178.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 51.22 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.59 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 53.23 110.863 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.87 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.38 -37.98 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.42 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 50.53 111.079 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.07 31.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.57 82.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 41.04 112.477 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.6 59.3 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 74.04 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 63.45 112.504 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 50.52 110.879 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 64.21 110.879 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.422 0 N-CA-C 110.886 -0.042 . . . . 73.43 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 108.889 -0.782 . . . . 73.1 108.889 -178.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 64.45 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.6 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 64.04 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -92.95 -63.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.1 110.866 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.27 -38.05 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.45 110.936 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.37 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 62.23 111.098 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 70.41 110.914 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 51.23 112.493 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.53 59.22 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 72.24 110.889 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.16 77.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 70.42 112.455 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.79 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 73.22 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.546 0.688 . . . . 75.54 110.886 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.453 0 N-CA-C 110.874 -0.047 . . . . 74.14 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.879 -0.786 . . . . 74.32 108.879 -178.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 50.21 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.97 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.831 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.31 -38.08 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 65.53 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.38 22.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 61.43 111.118 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.06 31.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.55 82.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.43 112.492 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -90.56 59.31 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 71.2 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.17 30.21 77.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 73.25 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 54.42 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 74.42 110.9 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.463 0 N-CA-C 110.872 -0.047 . . . . 62.22 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.863 -0.792 . . . . 61.14 108.863 -178.821 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.863 0.363 . . . . 73.22 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.58 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.91 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.2 110.889 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.07 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 72.53 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.37 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.107 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -22.08 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.41 110.891 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.56 82.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 74.35 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -90.59 59.34 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 74.21 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.09 76.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 61.53 112.509 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 71.52 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 72.41 110.866 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.469 0 N-CA-C 110.874 -0.047 . . . . 72.42 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 108.871 -0.789 . . . . 74.03 108.871 -178.839 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 75.42 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.58 35.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -92.93 -63.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 51.43 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.37 -38.04 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.146 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -22.0 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 44.33 110.848 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.6 82.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 71.14 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.5 59.28 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 73.21 110.954 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.17 77.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 62.11 112.477 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 72.35 110.878 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.15 110.851 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.412 0 N-CA-C 110.846 -0.057 . . . . 75.13 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 108.872 -0.788 . . . . 53.42 108.872 -178.837 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.926 0.394 . . . . 62.43 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.57 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.02 110.858 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.88 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.883 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.03 12.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 73.15 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.39 22.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.31 111.099 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.11 30.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 62.35 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.63 82.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 22.12 112.502 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.55 59.29 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 74.33 110.946 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.08 76.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 54.1 112.52 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.7 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 73.12 110.919 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.618 0.723 . . . . 72.12 110.851 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.478 0 N-CA-C 110.85 -0.056 . . . . 72.22 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 108.875 -0.787 . . . . 41.31 108.875 -178.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.353 . . . . 61.04 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.61 35.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -92.93 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.2 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.28 -38.12 12.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 41.22 111.082 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.05 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 53.33 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 -13.66 82.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 31.43 112.49 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.51 59.25 4.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 53.23 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.19 77.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 74.52 112.469 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.87 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 62.34 110.844 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 74.32 110.83 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.459 0 N-CA-C 110.877 -0.046 . . . . 53.3 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 108.855 -0.794 . . . . 65.43 108.855 -178.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.887 0.375 . . . . 65.22 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.62 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.86 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.26 -38.04 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.38 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.31 111.077 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.02 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.926 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.62 82.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 63.13 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.53 59.27 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 63.42 110.928 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.12 76.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 74.12 112.477 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 72.34 110.817 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.537 0.684 . . . . 62.22 110.838 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.447 0 N-CA-C 110.864 -0.05 . . . . 72.24 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 108.897 -0.779 . . . . 42.42 108.897 -178.861 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 70.23 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.26 149.6 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.01 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.89 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.54 110.87 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.06 12.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.41 22.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.3 111.087 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.07 31.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 65.21 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 64.44 112.464 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 73.24 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 76.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 74.14 112.477 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 72.02 110.901 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 72.01 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.46 0 N-CA-C 110.882 -0.044 . . . . 64.05 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.873 -0.788 . . . . 75.21 108.873 -178.851 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 75.33 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.24 149.59 35.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 70.53 110.924 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -92.92 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 52.31 110.883 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.3 -38.09 12.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.01 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.46 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.42 111.107 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -22.08 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 33.31 110.86 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.58 82.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 71.23 112.479 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.7 mt -90.54 59.33 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 73.31 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.18 30.17 77.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 53.13 112.489 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.78 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 61.03 110.864 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 64.44 110.858 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.405 0 N-CA-C 110.901 -0.037 . . . . 74.14 110.901 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.829 -0.804 . . . . 53.53 108.829 -178.839 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.907 0.384 . . . . 44.34 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.62 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 73.42 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.34 110.838 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.26 -38.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.935 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 1.42 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.5 111.1 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.69 -22.01 31.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 62.52 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.55 82.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 70.3 112.474 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 59.32 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 75.32 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.2 77.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.76 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.41 110.832 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.43 110.859 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.483 0 N-CA-C 110.886 -0.042 . . . . 71.14 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.882 -0.785 . . . . 74.32 108.882 -178.83 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 61.43 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.6 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -92.91 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 53.22 110.875 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.38 -38.0 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.932 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.41 22.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 63.2 111.113 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.899 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.53 82.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 72.14 112.519 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -90.56 59.25 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.875 0.369 . . . . 72.34 110.924 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.1 76.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 64.31 112.514 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 62.23 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.56 0.695 . . . . 64.24 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.451 0 N-CA-C 110.896 -0.038 . . . . 72.51 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.87 -0.789 . . . . 71.21 108.87 -178.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 53.41 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.31 149.56 35.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 70.21 110.901 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -92.85 -63.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.31 -38.02 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.4 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.53 111.069 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -22.05 31.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 64.35 110.858 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 63.23 112.536 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 72.22 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 51.23 112.483 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.76 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 72.14 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 70.24 110.89 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.471 0 N-CA-C 110.92 -0.03 . . . . 74.41 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.88 -0.785 . . . . 75.04 108.88 -178.88 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 73.5 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.34 149.56 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 61.13 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.872 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.33 -38.05 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.918 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 8' ' ' LEU . . . -78.41 1.4 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.23 111.091 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.1 31.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.6 82.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 64.02 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 5' ' ' ALA . 1.1 mt -90.52 59.29 4.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 64.34 110.936 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.21 77.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 60.55 112.486 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.85 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 63.43 110.828 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.42 110.872 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.453 0 N-CA-C 110.885 -0.043 . . . . 72.34 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 108.841 -0.799 . . . . 73.04 108.841 -178.83 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 32.01 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.58 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 62.03 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.874 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.33 -38.02 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.39 22.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.2 111.067 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -22.01 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.01 110.841 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 64.2 112.486 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mp -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.827 0.346 . . . . 65.44 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.12 76.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 75.04 112.515 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 65.3 110.94 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 65.2 110.869 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.483 0 CA-C-O 120.017 -0.039 . . . . 62.24 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 108.82 -0.808 . . . . 75.2 108.82 -178.804 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 70.32 110.904 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.61 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 63.15 110.881 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.847 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 mt -92.32 -37.97 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.951 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.48 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 61.02 111.076 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.04 31.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.24 110.923 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 34.4 112.458 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.51 59.23 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 75.24 110.924 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 71.33 112.501 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 74.3 110.885 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 61.13 110.87 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.449 0 N-CA-C 110.916 -0.031 . . . . 71.44 110.916 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 108.877 -0.786 . . . . 71.12 108.877 -178.834 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.86 0.362 . . . . 73.22 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.59 35.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.11 110.845 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -92.88 -63.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.918 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.29 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.35 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.39 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.073 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.17 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.24 110.872 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.88 -13.63 82.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 71.22 112.513 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.49 59.25 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 61.43 110.908 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.13 76.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 70.02 112.489 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 74.12 110.876 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 74.34 110.876 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.424 0 N-CA-C 110.863 -0.051 . . . . 54.3 110.863 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 108.884 -0.784 . . . . 45.32 108.884 -178.839 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.892 0.377 . . . . 53.34 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.56 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 51.02 110.855 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 72.41 110.892 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.3 mt -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.882 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.44 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 52.35 111.124 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.02 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 71.3 110.901 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.58 82.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 74.14 112.452 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.5 59.26 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 64.44 110.907 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.16 77.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 41.44 112.485 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.73 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 73.41 110.868 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 72.33 110.83 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.494 0 CA-C-O 120.017 -0.04 . . . . 73.32 110.95 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 108.886 -0.783 . . . . 71.32 108.886 -178.843 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.864 0.364 . . . . 63.15 110.886 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.27 149.61 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.914 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -92.9 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.853 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.3 -38.0 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 75.11 110.933 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.44 22.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.892 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.58 82.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 61.54 112.445 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.54 59.29 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 63.01 110.92 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 64.14 112.505 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.84 86.72 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.1 110.86 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 71.25 110.875 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.882 -0.044 . . . . 73.1 110.882 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 108.866 -0.79 . . . . 70.04 108.866 -178.858 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.885 0.374 . . . . 52.45 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.61 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 52.32 110.866 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.35 110.833 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.28 -38.02 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.924 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.44 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 44.32 111.087 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.09 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 61.21 110.866 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.04 112.49 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -90.54 59.22 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 71.32 110.898 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.02 76.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 62.44 112.489 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.74 86.69 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 64.11 110.916 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.714 . . . . 72.41 110.83 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.457 0 N-CA-C 110.851 -0.055 . . . . 74.25 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.406 0 N-CA-C 108.871 -0.788 . . . . 42.53 108.871 -178.83 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.875 0.369 . . . . 62.34 110.837 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.62 35.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.32 110.848 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -92.95 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.877 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -92.35 -38.06 12.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.909 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 62.54 111.126 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.03 31.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 64.12 110.86 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.65 82.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 42.32 112.508 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 64.22 110.902 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.12 76.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 45.24 112.501 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.13 110.862 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 62.01 110.878 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.486 0 N-CA-C 110.894 -0.039 . . . . 53.34 110.894 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 108.86 -0.792 . . . . 74.15 108.86 -178.838 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 64.25 110.908 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.58 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 45.22 110.894 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -92.91 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 mt -92.28 -38.04 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.23 110.948 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.35 22.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.11 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.08 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 74.22 110.89 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 40.5 112.481 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.48 59.3 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 70.23 110.924 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.16 77.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 33.53 112.511 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.64 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 62.14 110.89 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 73.44 110.875 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.237 0.444 0 N-CA-C 110.849 -0.056 . . . . 73.04 110.849 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 108.899 -0.778 . . . . 64.41 108.899 -178.868 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 73.4 110.883 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.63 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 45.12 110.833 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.826 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -92.3 -38.11 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.909 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.43 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 72.41 111.126 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.08 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 54.25 110.89 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.64 82.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 42.43 112.483 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.5 59.33 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 62.23 110.928 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.15 76.99 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 75.21 112.478 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.66 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 72.22 110.893 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 73.24 110.884 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.452 0 N-CA-C 110.865 -0.05 . . . . 63.5 110.865 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.864 -0.791 . . . . 34.21 108.864 -178.868 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 72.12 110.9 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.63 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 63.41 110.853 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.98 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.44 110.837 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.35 -37.97 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.915 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.46 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.077 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.07 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 65.03 110.877 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.57 82.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 73.1 112.526 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.56 59.28 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 65.21 110.882 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.15 30.19 77.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 71.23 112.515 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 54.53 110.846 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 74.14 110.826 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.464 0 CA-C-O 120.014 -0.041 . . . . 74.33 110.919 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 108.828 -0.804 . . . . 65.24 108.828 -178.824 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 74.13 110.861 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.901 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.867 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.28 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.11 110.931 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.48 1.41 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 51.33 111.064 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 64.11 110.887 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.02 112.467 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.54 59.32 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 74.13 110.903 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.1 76.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 72.02 112.478 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.75 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 73.44 110.862 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.697 . . . . 74.05 110.868 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.238 0.473 0 CA-C-O 120.017 -0.04 . . . . 63.41 110.903 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.849 -0.797 . . . . 61.23 108.849 -178.819 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 71.34 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.59 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.847 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -92.93 -63.15 1.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 42.31 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.33 -38.07 12.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.15 110.938 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.38 1.43 22.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 54.22 111.138 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.1 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 44.01 110.859 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.61 82.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 70.54 112.46 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.47 59.21 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 65.02 110.931 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.12 76.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 52.21 112.483 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.7 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 72.54 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.594 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.38 161.75 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 65.23 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.594 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.24 21.87 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.51 37.79 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.828 -0.804 . . . . 43.23 108.828 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.85 -1.068 . . . . 70.01 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 74.04 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.63 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.87 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.95 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 62.34 110.858 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.06 12.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 45.13 110.924 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.39 22.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.153 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.34 112.512 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -90.54 59.25 4.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.857 0.36 . . . . 73.4 110.922 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.17 77.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 32.31 112.499 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.65 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 34.4 110.886 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.72 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.706 . . . . 75.44 110.845 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.585 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.29 21.84 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.215 -0.448 . . . . 61.25 110.874 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.52 37.79 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.869 -0.789 . . . . 64.54 108.869 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 114.877 -1.056 . . . . 24.31 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.859 0.361 . . . . 75.1 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.59 35.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 70.5 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.884 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.24 -38.07 12.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.96 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.44 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 71.04 111.124 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.05 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 65.52 110.861 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 30.21 112.482 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.6 mt -90.54 59.24 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 72.32 110.929 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.15 76.99 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 42.44 112.502 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.879 0.371 . . . . 73.31 110.89 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.595 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.42 161.75 35.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 72.15 110.825 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.595 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.3 21.87 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.215 -0.448 . . . . 63.34 110.913 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.87 131.54 37.8 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.843 -0.799 . . . . 75.42 108.843 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 114.891 -1.05 . . . . 35.31 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.832 0.349 . . . . 51.45 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.24 110.87 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -92.92 -63.2 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.883 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 53.12 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.4 22.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.53 111.097 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.01 31.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 52.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 55.32 112.471 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.55 59.28 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 71.14 110.933 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 73.2 112.523 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.73 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 45.3 110.846 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.45 161.7 35.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 73.21 110.88 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.81 151.27 21.87 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.209 -0.45 . . . . 71.05 110.893 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.44 37.85 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.872 -0.788 . . . . 54.13 108.872 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 114.929 -1.032 . . . . 11.44 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 62.14 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.921 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -92.88 -63.14 1.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.918 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.32 -38.07 12.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 52.21 111.105 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.53 82.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 72.3 112.507 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.57 59.27 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 70.54 110.908 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.1 76.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 52.24 112.52 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 74.32 110.875 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.83 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.622 0.725 . . . . 71.14 110.846 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.27 21.87 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.256 -0.429 . . . . 71.21 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.82 131.51 37.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.868 -0.79 . . . . 63.44 108.868 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 114.929 -1.032 . . . . 24.45 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 51.22 110.908 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.59 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 53.23 110.863 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.87 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.888 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.38 -37.98 12.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.42 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 50.53 111.079 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.07 31.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.57 82.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 41.04 112.477 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.6 59.3 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 74.04 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 63.45 112.504 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.58 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 50.52 110.879 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.591 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.79 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 64.21 110.879 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.591 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.29 21.86 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.886 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.78 131.46 37.81 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.889 -0.782 . . . . 73.1 108.889 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 114.871 -1.059 . . . . 13.42 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 64.45 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.6 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 64.04 110.893 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -92.95 -63.2 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.1 110.866 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.27 -38.05 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.45 110.936 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.37 22.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 62.23 111.098 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 70.41 110.914 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 51.23 112.493 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.53 59.22 4.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 72.24 110.889 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.16 77.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 70.42 112.455 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.79 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 73.22 110.877 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.592 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.71 35.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.546 0.688 . . . . 75.54 110.886 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.592 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.27 21.86 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.874 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.8 131.54 37.77 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.879 -0.786 . . . . 74.32 108.879 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 114.909 -1.041 . . . . 25.13 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 50.21 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.61 35.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.23 110.902 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -92.97 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.831 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.31 -38.08 12.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 65.53 110.894 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.38 22.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 61.43 111.118 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.06 31.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.32 110.884 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.55 82.94 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.749 . . . . 74.43 112.492 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mp -90.56 59.31 4.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 71.2 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.17 30.21 77.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 73.25 112.504 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.67 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 54.42 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.596 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.75 35.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 74.42 110.9 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.596 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.89 151.28 21.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 116.216 -0.447 . . . . 62.22 110.872 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.48 37.83 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.863 -0.792 . . . . 61.14 108.863 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.872 -1.058 . . . . 2.52 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.863 0.363 . . . . 73.22 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.58 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.903 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -92.91 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.2 110.889 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.07 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 72.53 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.37 22.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.107 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.55 -22.08 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.41 110.891 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.56 82.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 74.35 112.461 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -90.59 59.34 4.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 74.21 110.881 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.09 76.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 61.53 112.509 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.82 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 71.52 110.848 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.59 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.35 161.77 35.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.711 . . . . 72.41 110.866 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.59 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.77 151.32 21.87 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.91 131.5 37.88 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.871 -0.789 . . . . 74.03 108.871 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 114.875 -1.057 . . . . 40.13 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 75.42 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.58 35.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.866 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -92.93 -63.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 51.43 110.888 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.37 -38.04 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.937 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.3 111.146 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.67 -22.0 31.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 44.33 110.848 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.6 82.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 71.14 112.488 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.5 59.28 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 73.21 110.954 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.17 77.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 62.11 112.477 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 72.35 110.878 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.75 35.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.15 110.851 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.28 21.85 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.227 -0.442 . . . . 75.13 110.846 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.49 37.78 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.872 -0.788 . . . . 53.42 108.872 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 114.918 -1.037 . . . . 42.11 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.926 0.394 . . . . 62.43 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.57 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.02 110.858 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.88 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 64.41 110.883 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.34 -38.03 12.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 73.15 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.39 22.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.31 111.099 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.11 30.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 62.35 110.902 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.63 82.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 22.12 112.502 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -90.55 59.29 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 74.33 110.946 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.27 30.08 76.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 54.1 112.52 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.7 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.899 0.38 . . . . 73.12 110.919 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.593 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.81 35.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.618 0.723 . . . . 72.12 110.851 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.593 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.32 21.82 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.224 -0.444 . . . . 72.22 110.85 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.47 37.85 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.875 -0.787 . . . . 41.31 108.875 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 114.895 -1.048 . . . . 52.41 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.842 0.353 . . . . 61.04 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.3 149.61 35.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -92.93 -63.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.2 110.848 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.28 -38.12 12.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.898 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.4 22.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 41.22 111.082 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.05 31.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 53.33 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 -13.66 82.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 31.43 112.49 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -90.51 59.25 4.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 53.23 110.913 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.19 77.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 74.52 112.469 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.87 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 62.34 110.844 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.596 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.44 161.78 35.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 74.32 110.83 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.596 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.87 151.28 21.83 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.264 -0.426 . . . . 53.3 110.877 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.48 37.81 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.855 -0.794 . . . . 65.43 108.855 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 114.904 -1.043 . . . . 14.03 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.887 0.375 . . . . 65.22 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.62 35.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.868 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.86 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.26 -38.04 12.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.948 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.38 22.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.31 111.077 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.02 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.926 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.62 82.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 63.13 112.451 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.2 mt -90.53 59.27 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 63.42 110.928 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.12 76.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 74.12 112.477 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 72.34 110.817 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.597 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.74 35.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.537 0.684 . . . . 62.22 110.838 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.597 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.85 151.26 21.85 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.864 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.897 -0.779 . . . . 42.42 108.897 -178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 114.898 -1.047 . . . . 1.51 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.371 . . . . 70.23 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.26 149.6 35.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.01 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.89 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.54 110.87 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.3 -38.06 12.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.45 1.41 22.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 72.3 111.087 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.07 31.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 65.21 110.889 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 64.44 112.464 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.806 0.336 . . . . 73.24 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 76.98 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 74.14 112.477 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 72.02 110.901 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.58 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.7 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.576 0.703 . . . . 72.01 110.86 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.58 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.24 21.9 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.175 -0.466 . . . . 64.05 110.882 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.75 131.49 37.77 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.873 -0.788 . . . . 75.21 108.873 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 114.928 -1.033 . . . . 21.44 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 75.33 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.24 149.59 35.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 70.53 110.924 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -92.92 -63.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 52.31 110.883 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.3 -38.09 12.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 71.01 110.919 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.41 1.46 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.42 111.107 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -22.08 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 33.31 110.86 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.0 -13.58 82.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 71.23 112.479 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.7 mt -90.54 59.33 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 73.31 110.889 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.18 30.17 77.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 53.13 112.489 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.78 86.64 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 61.03 110.864 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.591 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.33 161.77 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 64.44 110.858 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.591 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.8 151.26 21.88 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.901 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.87 131.54 37.81 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.829 -0.804 . . . . 53.53 108.829 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 114.834 -1.075 . . . . 62.11 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.907 0.384 . . . . 44.34 110.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.62 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 73.42 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.34 110.838 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.26 -38.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 65.25 110.935 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 1.42 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.5 111.1 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.69 -22.01 31.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 62.52 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -13.55 82.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 70.3 112.474 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 59.32 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 75.32 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.2 77.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.456 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.76 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.41 110.832 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.58 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.77 35.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.43 110.859 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.58 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.28 21.85 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.278 -0.419 . . . . 71.14 110.886 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.8 131.48 37.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.882 -0.785 . . . . 74.32 108.882 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.938 -1.028 . . . . 31.23 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.884 0.373 . . . . 61.43 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.6 35.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.88 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -92.91 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 53.22 110.875 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.38 -38.0 12.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.932 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.41 22.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 63.2 111.113 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.07 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.899 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.53 82.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 72.14 112.519 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -90.56 59.25 4.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.875 0.369 . . . . 72.34 110.924 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.25 30.1 76.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 64.31 112.514 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 62.23 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.6 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.41 161.76 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.56 0.695 . . . . 64.24 110.878 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.6 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.25 21.87 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.896 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.78 131.49 37.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.87 -0.789 . . . . 71.21 108.87 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 114.853 -1.067 . . . . 44.41 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 53.41 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.31 149.56 35.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 70.21 110.901 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -92.85 -63.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.31 -38.02 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.43 1.4 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.53 111.069 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -22.05 31.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 64.35 110.858 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.98 -13.56 82.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 63.23 112.536 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.5 mt -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 72.22 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 51.23 112.483 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.76 86.67 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 72.14 110.868 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.42 161.75 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 70.24 110.89 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.23 21.91 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.92 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.75 131.5 37.76 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.88 -0.785 . . . . 75.04 108.88 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 114.861 -1.063 . . . . 55.31 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 73.5 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.34 149.56 35.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 61.13 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.872 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.33 -38.05 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.918 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 8' ' ' LEU . . . -78.41 1.4 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.23 111.091 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.1 31.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.917 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.6 82.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 64.02 112.498 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 5' ' ' ALA . 1.1 mt -90.52 59.29 4.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 64.34 110.936 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.22 30.21 77.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 60.55 112.486 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.85 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 63.43 110.828 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.44 161.73 35.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.42 110.872 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.78 151.29 21.88 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.25 -0.432 . . . . 72.34 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.46 37.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.841 -0.799 . . . . 73.04 108.841 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 114.92 -1.036 . . . . 31.34 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.857 0.361 . . . . 32.01 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.58 35.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 62.03 110.879 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -92.89 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.874 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.33 -38.02 12.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.912 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.4 1.39 22.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.2 111.067 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -22.01 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.01 110.841 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 64.2 112.486 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mp -90.54 59.27 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.827 0.346 . . . . 65.44 110.909 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.19 30.12 76.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 75.04 112.515 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.77 86.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 65.3 110.94 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.34 161.75 35.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 65.2 110.869 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.3 21.84 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.191 -0.458 . . . . 62.24 110.918 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.8 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.82 -0.808 . . . . 75.2 108.82 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 114.883 -1.053 . . . . 4.12 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.367 . . . . 70.32 110.904 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.28 149.61 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 63.15 110.881 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -92.94 -63.22 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.847 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 mt -92.32 -37.97 12.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.951 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.48 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 61.02 111.076 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.04 31.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.24 110.923 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -13.59 82.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 34.4 112.458 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.8 mt -90.51 59.23 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 75.24 110.924 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 71.33 112.501 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.79 86.68 2.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 74.3 110.885 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.597 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.76 35.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 61.13 110.87 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.597 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.8 151.25 21.89 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.174 -0.466 . . . . 71.44 110.916 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.77 131.51 37.76 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.877 -0.786 . . . . 71.12 108.877 -178.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 114.901 -1.045 . . . . 62.11 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.86 0.362 . . . . 73.22 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.32 149.59 35.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.11 110.845 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -92.88 -63.24 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.918 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.2 mt -92.29 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.35 110.91 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.39 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.073 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -22.17 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 60.24 110.872 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.88 -13.63 82.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 71.22 112.513 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 mp -90.49 59.25 4.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 61.43 110.908 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.13 76.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 70.02 112.489 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.8 86.71 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 74.12 110.876 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.41 161.74 35.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.703 . . . . 74.34 110.876 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.88 151.23 21.85 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.226 -0.443 . . . . 54.3 110.863 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.79 131.49 37.79 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.884 -0.784 . . . . 45.32 108.884 -178.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 114.914 -1.039 . . . . 71.42 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.892 0.377 . . . . 53.34 110.869 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.56 35.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 51.02 110.855 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 72.41 110.892 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.3 mt -92.32 -38.04 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.882 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.42 1.44 22.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 52.35 111.124 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -22.02 31.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 71.3 110.901 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.04 -13.58 82.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 74.14 112.452 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.5 59.26 4.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.81 0.338 . . . . 64.44 110.907 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.16 77.02 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 41.44 112.485 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.73 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 73.41 110.868 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.74 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 72.33 110.83 179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.585 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.79 151.24 21.9 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.95 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.71 131.51 37.73 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.886 -0.783 . . . . 71.32 108.886 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.88 -1.055 . . . . 62.13 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.864 0.364 . . . . 63.15 110.886 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.27 149.61 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 71.25 110.914 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -92.9 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 75.02 110.853 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.2 mp -92.3 -38.0 12.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 75.11 110.933 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.47 1.44 22.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 63.0 111.097 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.06 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.892 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.58 82.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 61.54 112.445 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.54 59.29 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 63.01 110.92 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.15 77.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 64.14 112.505 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.84 86.72 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.1 110.86 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.77 35.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 71.25 110.875 179.928 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.24 21.87 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.252 -0.431 . . . . 73.1 110.882 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.46 37.81 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.866 -0.79 . . . . 70.04 108.866 -178.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 114.863 -1.062 . . . . 1.41 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.885 0.374 . . . . 52.45 110.851 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.61 35.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 52.32 110.866 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 75.35 110.833 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.28 -38.02 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.924 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 1.44 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 44.32 111.087 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -22.09 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 61.21 110.866 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.97 -13.58 82.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 74.04 112.49 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt -90.54 59.22 4.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 71.32 110.898 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.33 30.02 76.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 62.44 112.489 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.74 86.69 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 64.11 110.916 -179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.39 161.74 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.714 . . . . 72.41 110.83 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.83 151.31 21.84 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.851 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.84 131.53 37.8 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.871 -0.788 . . . . 42.53 108.871 -178.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 114.902 -1.045 . . . . 45.24 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.875 0.369 . . . . 62.34 110.837 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.33 149.62 35.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 72.32 110.848 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -92.95 -63.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.877 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp -92.35 -38.06 12.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.909 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.33 22.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 62.54 111.126 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.62 -22.03 31.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 64.12 110.86 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.94 -13.65 82.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 42.32 112.508 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.55 59.3 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 64.22 110.902 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.24 30.12 76.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 45.24 112.501 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.81 86.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 74.13 110.862 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.4 161.77 35.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 62.01 110.878 179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.82 151.27 21.86 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.229 -0.441 . . . . 53.34 110.894 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.81 131.46 37.84 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.86 -0.792 . . . . 74.15 108.86 -178.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 114.878 -1.056 . . . . 73.03 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 64.25 110.908 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.35 149.58 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 45.22 110.894 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -92.91 -63.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.9 mt -92.28 -38.04 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.23 110.948 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.39 1.35 22.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.11 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -22.08 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 74.22 110.89 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.62 82.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 40.5 112.481 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.48 59.3 4.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 70.23 110.924 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.23 30.16 77.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 33.53 112.511 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.84 86.64 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 62.14 110.89 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.597 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.35 161.79 35.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 73.44 110.875 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.597 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.84 151.28 21.85 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.279 -0.419 . . . . 73.04 110.849 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.83 131.48 37.84 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.899 -0.778 . . . . 64.41 108.899 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 114.9 -1.045 . . . . 21.11 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 73.4 110.883 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.29 149.63 35.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 45.12 110.833 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -92.95 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.5 110.826 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -92.3 -38.11 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.909 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.36 1.43 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 72.41 111.126 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.08 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 54.25 110.89 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.96 -13.64 82.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 42.43 112.483 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.5 59.33 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 62.23 110.928 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.2 30.15 76.99 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 75.21 112.478 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.1 t -129.78 86.66 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 72.22 110.893 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.598 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.37 161.79 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.579 0.704 . . . . 73.24 110.884 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.598 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.78 151.31 21.87 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.185 -0.461 . . . . 63.5 110.865 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.85 131.53 37.81 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 108.864 -0.791 . . . . 34.21 108.864 -178.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 114.863 -1.062 . . . . 71.33 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.9 0.381 . . . . 72.12 110.9 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -114.31 149.63 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 63.41 110.853 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.98 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 75.44 110.837 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -92.35 -37.97 12.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.915 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.51 1.46 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.077 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.61 -22.07 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 65.03 110.877 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.95 -13.57 82.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 73.1 112.526 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -90.56 59.28 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 65.21 110.882 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.15 30.19 77.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 71.23 112.515 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -129.83 86.74 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 54.53 110.846 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.45 161.76 35.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.629 0.728 . . . . 74.14 110.826 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.74 151.29 21.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.919 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.82 131.48 37.83 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.828 -0.804 . . . . 65.24 108.828 -178.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 114.896 -1.047 . . . . 50.53 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 74.13 110.861 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.29 149.56 35.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.901 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -92.91 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.867 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.8 mt -92.28 -38.03 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.11 110.931 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.48 1.41 22.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 51.33 111.064 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -22.05 31.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 64.11 110.887 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.02 -13.57 82.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 53.02 112.467 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.54 59.32 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 74.13 110.903 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.26 30.1 76.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 72.02 112.478 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.9 t -129.82 86.75 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 73.44 110.862 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.599 ' HA ' ' C ' ' A' ' 12' ' ' HYP . 0.4 OUTLIER -137.43 161.76 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.565 0.697 . . . . 74.05 110.868 179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.599 ' C ' ' HA ' ' A' ' 11' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.87 151.27 21.84 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 116.22 -0.445 . . . . 63.41 110.903 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 m -92.76 131.51 37.76 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.849 -0.797 . . . . 61.23 108.849 -178.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 114.916 -1.038 . . . . 72.52 . . . . . . . . . . 0 0 . 1 stop_ save_