data_2n0c_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 2n0c _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 ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -93.87 58.92 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.71 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.45 93.18 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -148.53 129.58 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.43 78.81 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -121.64 39.2 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -100.41 27.99 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -53.41 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.76 101.96 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -118.9 149.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.1 32.93 22.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -108.81 26.42 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -132.18 29.22 4.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -66.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.17 112.68 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -114.44 147.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 83.07 1.66 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.455 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -113.79 51.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.906 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.898 0.38 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.49 32.26 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -53.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.61 88.35 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.073 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -149.16 132.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.58 64.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.61 29.72 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -98.12 47.24 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.61 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.33 90.47 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.9 t -148.76 136.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.04 72.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -112.9 59.88 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -83.98 58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -71.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.99 93.49 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -122.72 146.57 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 68.68 1.18 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -104.16 31.44 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.49 33.67 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.85 -69.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.93 79.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.54 139.87 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.6 22.96 8.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -100.58 26.35 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m120 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.98 64.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -70.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.45 93.97 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.5 t -145.24 130.27 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.11 89.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -114.91 35.42 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -108.91 57.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.79 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.74 96.43 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.02 129.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.77 75.61 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -100.97 44.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -105.77 40.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -67.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.64 108.92 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.08 138.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 24.77 5.25 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.538 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -102.88 41.85 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.4 t30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -102.84 78.32 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.51 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.61 93.72 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.2 128.25 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 54.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.535 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -93.38 49.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -114.14 35.38 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.92 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.0 94.66 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -146.37 135.56 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 46.83 32.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.567 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.12 26.53 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.786 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -115.09 32.98 5.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -76.2 -73.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.52 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.2 t -148.38 134.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.85 22.95 29.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -104.56 30.6 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.917 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.45 88.97 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -68.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.68 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -132.75 144.93 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.07 24.5 24.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -103.31 28.47 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -126.28 73.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -52.71 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.37 92.74 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.91 147.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.03 66.88 1.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.47 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -116.38 55.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -120.77 66.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -68.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.39 105.28 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -147.1 127.6 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.23 28.86 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -100.46 32.58 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 p30 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -120.84 41.04 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -52.77 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.38 98.24 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.48 143.08 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.89 107.42 0.18 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.455 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -125.4 45.11 2.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.88 154.43 18.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -93.87 58.92 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.71 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.45 93.18 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -148.53 129.58 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.43 78.81 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -121.64 39.2 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.18 121.99 45.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.0 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.942 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.78 176.93 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -100.41 27.99 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -53.41 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.76 101.96 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -118.9 149.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.1 32.93 22.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -108.81 26.42 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.57 80.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mtp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.923 179.807 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -98.5 -178.74 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -132.18 29.22 4.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -66.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.17 112.68 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -114.44 147.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 83.07 1.66 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.455 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -113.79 51.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.96 125.39 30.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.86 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 53.33 42.55 32.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.49 32.26 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -53.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.61 88.35 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.073 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -149.16 132.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.58 64.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.61 29.72 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.1 tp -118.94 92.99 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.4 ttm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.917 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.88 -29.96 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -98.12 47.24 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.61 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.33 90.47 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.9 t -148.76 136.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.04 72.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -112.9 59.88 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -114.88 -30.24 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.4 mmt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.826 -1.083 . . . . 0.0 110.931 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.36 -32.42 72.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -83.98 58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -71.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.99 93.49 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -122.72 146.57 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 68.68 1.18 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -104.16 31.44 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -104.92 26.23 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.917 179.792 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -82.52 165.23 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.49 33.67 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.85 -69.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.93 79.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.54 139.87 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.6 22.96 8.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -100.58 26.35 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.23 158.02 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 ptt? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.861 179.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m120 60.67 37.91 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.98 64.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -70.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.45 93.97 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.5 t -145.24 130.27 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.11 89.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -114.91 35.42 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt -80.86 122.29 27.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.5 mmm . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.889 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -60.16 139.4 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -108.91 57.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.79 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.74 96.43 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.02 129.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.77 75.61 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -100.97 44.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -155.11 119.06 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.891 179.828 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -143.79 143.94 31.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -105.77 40.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -67.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.64 108.92 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.08 138.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 24.77 5.25 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.538 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -102.88 41.85 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp -119.48 128.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' A' ' 10' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -91.01 111.39 22.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -102.84 78.32 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.51 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.61 93.72 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.2 128.25 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 54.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.535 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -93.38 49.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 10' ' ' MET . 1.5 tt -102.48 151.25 22.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.415 ' N ' HD23 ' A' ' 9' ' ' LEU . 11.5 ptt? . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.847 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -134.26 115.71 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -114.14 35.38 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.92 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.0 94.66 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -146.37 135.56 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 46.83 32.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.567 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.12 26.53 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.786 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -129.03 138.81 52.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.26 29.19 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -115.09 32.98 5.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -76.2 -73.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.52 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.2 t -148.38 134.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.85 22.95 29.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -104.56 30.6 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.52 169.58 17.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.3 ttp . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.886 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -99.18 173.81 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.45 88.97 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -68.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.68 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -132.75 144.93 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.07 24.5 24.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -103.31 28.47 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.57 113.23 25.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.879 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -143.67 133.48 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -126.28 73.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -52.71 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.37 92.74 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.91 147.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.03 66.88 1.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.47 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -116.38 55.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.35 101.18 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.843 179.895 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -104.35 134.91 46.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -120.77 66.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -68.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.39 105.28 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -147.1 127.6 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.23 28.86 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -100.46 32.58 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 102.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 10' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -111.79 171.79 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -120.84 41.04 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -52.77 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.38 98.24 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.48 143.08 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.89 107.42 0.18 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.455 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -125.4 45.11 2.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp -116.34 -38.22 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 ptt? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.897 179.841 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -93.87 58.92 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.71 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.45 93.18 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -148.53 129.58 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.43 78.81 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -121.64 39.2 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.452 ' NE2' HG11 ' A' ' 6' ' ' VAL . 10.1 t60 -100.41 27.99 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -53.41 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.76 101.96 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.452 HG11 ' NE2' ' A' ' 3' ' ' HIS . 14.5 p -118.9 149.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.1 32.93 22.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -108.81 26.42 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -132.18 29.22 4.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -66.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.17 112.68 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -114.44 147.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 83.07 1.66 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.455 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -113.79 51.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.906 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.898 0.38 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.49 32.26 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -53.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.61 88.35 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.073 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -149.16 132.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.58 64.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.61 29.72 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -98.12 47.24 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.61 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.33 90.47 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.9 t -148.76 136.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.04 72.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -112.9 59.88 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -83.98 58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -71.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.99 93.49 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -122.72 146.57 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 68.68 1.18 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -104.16 31.44 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.49 33.67 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.85 -69.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.93 79.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.54 139.87 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.6 22.96 8.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -100.58 26.35 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m120 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.98 64.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -70.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.45 93.97 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.5 t -145.24 130.27 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.11 89.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -114.91 35.42 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -108.91 57.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.79 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.74 96.43 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.02 129.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.77 75.61 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -100.97 44.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -105.77 40.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -67.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.64 108.92 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.08 138.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 24.77 5.25 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.538 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -102.88 41.85 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.4 t30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -102.84 78.32 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.51 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.61 93.72 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.2 128.25 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 54.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.535 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -93.38 49.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -114.14 35.38 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.92 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.0 94.66 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -146.37 135.56 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 46.83 32.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.567 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.12 26.53 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.786 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -115.09 32.98 5.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -76.2 -73.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.52 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.2 t -148.38 134.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.85 22.95 29.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -104.56 30.6 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.917 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.45 88.97 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -68.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.68 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -132.75 144.93 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.07 24.5 24.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -103.31 28.47 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -126.28 73.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -52.71 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.37 92.74 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.91 147.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.03 66.88 1.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.47 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -116.38 55.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -120.77 66.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -68.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.39 105.28 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -147.1 127.6 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.23 28.86 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -100.46 32.58 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 p30 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -120.84 41.04 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -52.77 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.38 98.24 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.48 143.08 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.89 107.42 0.18 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.455 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -125.4 45.11 2.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -91.88 154.43 18.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -93.87 58.92 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.71 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.45 93.18 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -148.53 129.58 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.43 78.81 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -121.64 39.2 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.18 121.99 45.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.0 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.942 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.78 176.93 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' NE2' HG11 ' A' ' 6' ' ' VAL . 10.1 t60 -100.41 27.99 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -53.41 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.76 101.96 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.452 HG11 ' NE2' ' A' ' 3' ' ' HIS . 14.5 p -118.9 149.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.1 32.93 22.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -108.81 26.42 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.57 80.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mtp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.923 179.807 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -98.5 -178.74 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -132.18 29.22 4.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -66.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.17 112.68 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -114.44 147.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 83.07 1.66 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.455 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -113.79 51.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.96 125.39 30.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.86 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 53.33 42.55 32.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.49 32.26 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -53.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.61 88.35 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.073 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -149.16 132.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.58 64.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.61 29.72 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.1 tp -118.94 92.99 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.4 ttm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.917 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -109.88 -29.96 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -98.12 47.24 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.61 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.33 90.47 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.9 t -148.76 136.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.04 72.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -112.9 59.88 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 10' ' ' MET . 4.0 pp -114.88 -30.24 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.434 ' N ' HD12 ' A' ' 9' ' ' LEU . 11.4 mmt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.826 -1.083 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.36 -32.42 72.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -83.98 58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -71.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.99 93.49 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -122.72 146.57 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 68.68 1.18 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -104.16 31.44 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -104.92 26.23 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.917 179.792 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -82.52 165.23 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.49 33.67 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.85 -69.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.93 79.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.54 139.87 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.6 22.96 8.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -100.58 26.35 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.23 158.02 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 ptt? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.861 179.796 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m120 60.67 37.91 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.98 64.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -70.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.45 93.97 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.5 t -145.24 130.27 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.11 89.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -114.91 35.42 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt -80.86 122.29 27.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.5 mmm . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.889 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -60.16 139.4 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -108.91 57.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.79 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.74 96.43 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.02 129.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.77 75.61 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -100.97 44.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -155.11 119.06 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.891 179.828 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -143.79 143.94 31.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -105.77 40.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -67.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.64 108.92 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.08 138.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 24.77 5.25 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.538 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -102.88 41.85 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp -119.48 128.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.464 ' O ' ' SD ' ' A' ' 10' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -91.01 111.39 22.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -102.84 78.32 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.51 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.61 93.72 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.2 128.25 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 54.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.535 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -93.38 49.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 10' ' ' MET . 1.5 tt -102.48 151.25 22.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.563 ' N ' HD23 ' A' ' 9' ' ' LEU . 11.5 ptt? . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.847 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -134.26 115.71 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -114.14 35.38 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.92 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.0 94.66 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -146.37 135.56 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 46.83 32.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.567 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.12 26.53 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.786 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -129.03 138.81 52.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.26 29.19 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -115.09 32.98 5.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -76.2 -73.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.52 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.2 t -148.38 134.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.85 22.95 29.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -104.56 30.6 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.52 169.58 17.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.3 ttp . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.886 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -99.18 173.81 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.45 88.97 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -68.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.68 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -132.75 144.93 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.07 24.5 24.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -103.31 28.47 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.57 113.23 25.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.879 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -143.67 133.48 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -126.28 73.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -52.71 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.37 92.74 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.91 147.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.03 66.88 1.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.47 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -116.38 55.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.35 101.18 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.843 179.895 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -104.35 134.91 46.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -120.77 66.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -68.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.39 105.28 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -147.1 127.6 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.23 28.86 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -100.46 32.58 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 102.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.466 ' O ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -111.79 171.79 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -120.84 41.04 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -52.77 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.38 98.24 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.48 143.08 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.89 107.42 0.18 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.455 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -125.4 45.11 2.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp -116.34 -38.22 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 ptt? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.897 179.841 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -93.87 58.92 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.71 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.45 93.18 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -148.53 129.58 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.43 78.81 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -121.64 39.2 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.452 ' NE2' HG11 ' A' ' 6' ' ' VAL . 10.1 t60 -100.41 27.99 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -53.41 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.76 101.96 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.452 HG11 ' NE2' ' A' ' 3' ' ' HIS . 14.5 p -118.9 149.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.1 32.93 22.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -108.81 26.42 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -132.18 29.22 4.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -66.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.17 112.68 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -114.44 147.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 83.07 1.66 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.455 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -113.79 51.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.906 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.898 0.38 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.49 32.26 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -53.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.61 88.35 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.073 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -149.16 132.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.58 64.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.61 29.72 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -98.12 47.24 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.61 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.33 90.47 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.9 t -148.76 136.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.04 72.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -112.9 59.88 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -83.98 58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -71.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.99 93.49 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -122.72 146.57 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 68.68 1.18 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -104.16 31.44 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.49 33.67 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.85 -69.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.93 79.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.54 139.87 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.6 22.96 8.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -100.58 26.35 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m120 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.98 64.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -70.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.45 93.97 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.5 t -145.24 130.27 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.11 89.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -114.91 35.42 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -108.91 57.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.79 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.74 96.43 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.02 129.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.77 75.61 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -100.97 44.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -105.77 40.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -67.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.64 108.92 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.08 138.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 24.77 5.25 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.538 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -102.88 41.85 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.4 t30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -102.84 78.32 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.51 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.61 93.72 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.2 128.25 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 54.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.535 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -93.38 49.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -114.14 35.38 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.92 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.0 94.66 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -146.37 135.56 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 46.83 32.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.567 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.12 26.53 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.786 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -115.09 32.98 5.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -76.2 -73.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.52 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.2 t -148.38 134.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.85 22.95 29.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -104.56 30.6 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.917 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.45 88.97 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -68.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.68 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -132.75 144.93 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.07 24.5 24.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -103.31 28.47 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -126.28 73.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -52.71 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.37 92.74 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.91 147.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.03 66.88 1.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.47 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -116.38 55.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -120.77 66.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -68.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.39 105.28 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -147.1 127.6 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.23 28.86 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -100.46 32.58 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 p30 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -120.84 41.04 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -52.77 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.38 98.24 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.48 143.08 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.89 107.42 0.18 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.455 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -125.4 45.11 2.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.88 154.43 18.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -93.87 58.92 2.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.71 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.45 93.18 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -148.53 129.58 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.43 78.81 0.58 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -121.64 39.2 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.18 121.99 45.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.0 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.901 -1.047 . . . . 0.0 110.942 179.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.78 176.93 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' NE2' HG11 ' A' ' 6' ' ' VAL . 10.1 t60 -100.41 27.99 5.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -53.41 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -114.76 101.96 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.452 HG11 ' NE2' ' A' ' 3' ' ' HIS . 14.5 p -118.9 149.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.085 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.1 32.93 22.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -108.81 26.42 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.925 0.393 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.57 80.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 32.8 mtp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.923 179.807 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -98.5 -178.74 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -132.18 29.22 4.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -66.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.17 112.68 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -114.44 147.19 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 83.07 1.66 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.455 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -113.79 51.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.96 125.39 30.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.86 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m120 53.33 42.55 32.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.921 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.49 32.26 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -53.09 -72.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.61 88.35 2.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.073 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -149.16 132.09 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.58 64.32 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.61 29.72 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.1 tp -118.94 92.99 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.4 ttm . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.917 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.88 -29.96 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -98.12 47.24 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.61 -74.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.33 90.47 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.9 t -148.76 136.1 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.04 72.64 0.91 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -112.9 59.88 0.64 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 10' ' ' MET . 4.0 pp -114.88 -30.24 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.434 ' N ' HD12 ' A' ' 9' ' ' LEU . 11.4 mmt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.826 -1.083 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -68.36 -32.42 72.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -83.98 58.11 4.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -71.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.99 93.49 4.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -122.72 146.57 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 68.68 1.18 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -104.16 31.44 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -104.92 26.23 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 tmm? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.917 179.792 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -82.52 165.23 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -103.49 33.67 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.85 -69.34 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -129.93 79.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.54 139.87 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.6 22.96 8.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -100.58 26.35 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.23 158.02 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.5 ptt? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.874 -1.06 . . . . 0.0 110.861 179.796 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m120 60.67 37.91 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -109.98 64.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.21 -70.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.45 93.97 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.5 t -145.24 130.27 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.11 89.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -114.91 35.42 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt -80.86 122.29 27.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.5 mmm . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.889 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -60.16 139.4 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -108.91 57.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.79 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.74 96.43 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -149.02 129.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.77 75.61 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.559 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -100.97 44.96 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -155.11 119.06 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 17.4 ptt? . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.891 179.828 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -143.79 143.94 31.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -105.77 40.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -67.95 0.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.64 108.92 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.08 138.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.36 24.77 5.25 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.538 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -102.88 41.85 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp -119.48 128.65 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.464 ' O ' ' SD ' ' A' ' 10' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -91.01 111.39 22.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -102.84 78.32 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -52.51 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.61 93.72 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.2 128.25 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 54.71 0.63 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.535 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -93.38 49.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 10' ' ' MET . 1.5 tt -102.48 151.25 22.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.563 ' N ' HD23 ' A' ' 9' ' ' LEU . 11.5 ptt? . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.847 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -134.26 115.71 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -114.14 35.38 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -52.92 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.0 94.66 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.078 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.9 t -146.37 135.56 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.19 46.83 32.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.567 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -110.12 26.53 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.786 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -129.03 138.81 52.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.881 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -110.26 29.19 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -115.09 32.98 5.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -76.2 -73.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.52 90.13 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.045 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.2 t -148.38 134.89 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.85 22.95 29.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.497 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -104.56 30.6 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.2 mt -80.52 169.58 17.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.3 ttp . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.886 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -99.18 173.81 6.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.45 88.97 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -68.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -122.97 100.68 7.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -132.75 144.93 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.07 24.5 24.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -103.31 28.47 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.349 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.57 113.23 25.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.879 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -143.67 133.48 23.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -126.28 73.94 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -52.71 -73.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.37 92.74 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.91 147.75 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.03 66.88 1.13 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.47 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -116.38 55.79 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.35 101.18 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.843 179.895 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -104.35 134.91 46.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.828 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -120.77 66.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -68.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.39 105.28 8.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.5 t -147.1 127.6 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.23 28.86 3.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.48 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -100.46 32.58 3.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.99 102.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.466 ' O ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.844 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -111.79 171.79 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -120.84 41.04 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -52.77 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.38 98.24 6.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.9 p -129.48 143.08 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.89 107.42 0.18 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.455 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -125.4 45.11 2.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp -116.34 -38.22 3.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.8 ptt? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.897 179.841 . . . . . . . . 0 0 . 1 stop_ save_