data_2ln4_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 2ln4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 53.229999999999997 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -54.62 -39.1 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -69.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.88 -30.39 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.44 -63.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 110.886 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -42.18 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.78 -67.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 64.030000000000001 111.151 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.86 37.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.08 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.89 -75.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 74.409999999999997 110.924 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -152.11 47.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 75.409999999999997 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -153.13 -174.64 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.430000000000007 110.925 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -136.34 -41.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.906 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 173.44 17.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 52.329999999999998 112.526 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.17 152.52 24.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 65.319999999999993 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 t -156.97 165.96 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 74.049999999999997 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.93 153.5 47.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.549999999999997 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -146.55 113.95 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 70.230000000000004 110.942 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.96 44.15 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.901 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.4 18.78 78.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 63.5 112.471 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.7 132.93 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 64.239999999999995 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.3 t -71.28 126.51 29.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 75.120000000000005 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.21 125.12 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.019999999999996 111.089 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.2 m -88.19 147.4 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 75.209999999999994 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.040000000000006 110.914 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 111.076 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.33 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 74.219999999999999 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.15 -69.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 73.450000000000003 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.65 -30.7 22.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 75.230000000000004 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -63.13 -64.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.851 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -44.43 69.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.2 mt -55.14 -62.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 75.340000000000003 111.133 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.67 66.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 64.5 111.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -65.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.430000000000007 110.952 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.47 44.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.409999999999997 110.863 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.48 163.39 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.877 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -38.88 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 110.905 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.63 176.05 25.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.754 . . . . 74.430000000000007 112.498 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.12 111.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 63.240000000000002 112.504 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -128.16 -179.96 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 74.120000000000005 110.86 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 m -132.87 134.38 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 73.450000000000003 110.866 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -129.2 131.19 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 54.88 43.87 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.530000000000001 110.88 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.46 18.8 61.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 73.439999999999998 112.492 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.3 t -120.96 147.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 75.150000000000006 111.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.71 124.99 27.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 64.340000000000003 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -136.46 105.22 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.430000000000007 111.118 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.11 134.76 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.873 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 74.400000000000006 110.845 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.854 0.359 . . . . 73.120000000000005 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 t -54.34 -42.85 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.918 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.31 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 111.093 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.88 -32.59 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.947 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -62.51 -63.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.439999999999998 110.809 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -46.96 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.911 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.42 -61.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.141 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.26 -30.05 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 111.082 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -70.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.409999999999997 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -159.65 45.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.540000000000006 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.57 179.4 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -118.3 -31.69 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.439999999999998 110.912 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.58 179.9 18.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 63.140000000000001 112.482 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.99 158.2 28.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 74.430000000000007 112.454 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -161.12 175.67 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 74.329999999999998 110.902 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 t -138.34 139.99 39.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 70.109999999999999 110.901 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -143.61 143.18 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.120000000000005 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m120 55.58 26.92 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 73.340000000000003 110.906 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.72 22.97 76.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.727 . . . . 43.200000000000003 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.39 139.91 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 65.230000000000004 111.135 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.47 138.09 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 64.310000000000002 110.89 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -143.9 129.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 111.113 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -85.19 147.81 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.549999999999997 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 64.040000000000006 111.058 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.0 t -57.31 -41.93 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 62.219999999999999 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -69.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.89 -30.74 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 74.530000000000001 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.63 -62.69 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.009999999999998 110.789 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -43.53 70.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 73.239999999999995 110.902 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.39 -68.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.239999999999995 111.073 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.16 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 61.409999999999997 111.135 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.58 -71.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.874 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -158.96 49.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.239999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -151.47 -177.7 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -134.06 -41.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 110.892 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.6 178.36 22.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.489 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.59 145.13 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 72.329999999999998 112.446 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -155.8 178.5 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 74.140000000000001 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 m -133.21 138.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 44.310000000000002 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -133.85 127.78 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.329999999999998 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m120 53.51 39.6 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.943 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.68 72.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 55.210000000000001 112.506 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.2 t -122.26 138.2 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 73.150000000000006 111.126 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.13 129.32 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.420000000000002 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -133.1 126.41 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.082 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 m -87.2 153.11 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.439999999999998 110.87 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.85 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.76 0.314 . . . . 74.129999999999995 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -57.18 -41.27 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -69.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 54.399999999999999 111.105 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 pp -51.97 -34.97 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 110.896 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -62.86 -64.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.150000000000006 110.856 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -42.69 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 64.129999999999995 110.874 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.1 mt -60.03 -68.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 72.200000000000003 111.136 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.1 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.131 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.68 -74.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -156.09 46.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 178.45 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.889 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -39.98 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 73.319999999999993 110.89 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.07 176.84 17.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 75.329999999999998 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.84 150.07 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 64.109999999999999 112.506 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -157.43 179.99 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 73.349999999999994 110.825 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -131.15 133.81 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 71.319999999999993 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -120.73 118.85 31.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.219999999999999 110.964 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.38 36.42 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.853 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.44 20.26 77.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 72.430000000000007 112.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.3 t -119.34 126.87 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 74.120000000000005 111.141 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.17 124.33 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 71.120000000000005 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.79 134.7 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 111.092 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -94.8 154.87 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.519999999999996 110.863 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.230000000000004 110.899 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 72.420000000000002 111.087 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 m -58.49 -32.53 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.030000000000001 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -70.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 111.083 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -33.14 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.941 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.69 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 110.864 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -44.56 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 110.862 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.88 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 111.13 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.98 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 62.329999999999998 111.081 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -69.41 -74.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -154.48 47.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 72.129999999999995 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -150.08 178.66 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -123.15 -35.65 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 110.893 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.24 153.58 17.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 72.019999999999996 112.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.88 148.18 19.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 54.310000000000002 112.488 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -161.51 179.89 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 62.43 110.876 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.6 t -127.97 118.94 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 63.539999999999999 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -112.33 131.48 55.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.864 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.8 m120 52.23 42.27 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.889 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.75 24.68 68.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 72.5 112.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.22 145.69 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 75.540000000000006 111.12 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.13 119.23 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.83 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 111.136 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.12 146.39 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 51.149999999999999 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.219999999999999 110.858 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.347 . . . . 73.540000000000006 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 t -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -67.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 74.25 111.127 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.75 -31.29 26.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 74.200000000000003 110.869 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.01 -67.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.510000000000005 110.866 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -46.47 63.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.904 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -55.81 -66.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 71.310000000000002 111.155 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.94 27.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.150000000000006 111.133 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.58 -75.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.916 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -156.1 42.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 75.129999999999995 110.852 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 172.91 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -128.23 -38.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 63.340000000000003 110.911 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.0 31.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 72.319999999999993 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 117.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 62.020000000000003 112.534 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -138.9 179.99 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 71.400000000000006 110.875 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.99 135.03 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 65.030000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -139.31 140.88 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.911 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.88 25.3 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.888 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.3 3.6 88.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 61.530000000000001 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.64 148.39 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 74.400000000000006 111.136 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 p -74.27 141.02 45.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -148.03 123.02 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.049999999999997 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.93 140.46 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.842 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.049999999999997 110.91 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 71.439999999999998 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.6 -39.67 65.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.340000000000003 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -70.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.144 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.99 -30.65 26.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.010000000000005 110.933 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.8 -62.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.230000000000004 110.844 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.78 -67.47 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 111.175 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.03 -30.04 33.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.420000000000002 111.106 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.08 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -155.08 46.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.010000000000005 110.868 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -179.35 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.895 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -133.44 -40.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 73.420000000000002 110.861 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.07 165.15 14.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 72.109999999999999 112.475 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.22 140.2 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 64.510000000000005 112.478 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -146.06 -179.87 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 75.239999999999995 110.849 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 t -137.35 113.54 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.219999999999999 110.867 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -116.99 139.23 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 71.230000000000004 110.904 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 53.27 42.07 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.871 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.77 18.59 59.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 75.319999999999993 112.536 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.5 t -124.32 131.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 71.030000000000001 111.094 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.87 141.15 51.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.439999999999998 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.41 147.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.439999999999998 111.123 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 m -93.13 143.5 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.907 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 70.109999999999999 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.843 0.354 . . . . 64.400000000000006 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.76 -39.45 68.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 60.140000000000001 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -70.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 73.200000000000003 111.05 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.93 -32.1 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 110.932 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.71 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.88 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -43.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.71 -67.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.132 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.03 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 61.32 111.108 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.09 -71.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 71.030000000000001 110.937 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -158.88 49.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 75.349999999999994 110.846 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.2 178.43 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.909 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 74.129999999999995 110.899 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.03 168.45 12.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 64.120000000000005 112.51 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 140.65 6.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 40.5 112.481 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.6 p -156.62 179.98 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 64.310000000000002 110.856 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.9 t -119.87 136.16 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -133.45 135.97 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.934 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 53.86 36.87 25.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.862 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.94 21.61 73.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 74.209999999999994 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.17 132.45 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 73.120000000000005 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 m -61.06 135.56 57.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 62.5 110.855 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.66 139.54 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.120000000000005 111.16 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -89.78 152.36 21.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 73.239999999999995 110.893 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.852 0.358 . . . . 74.420000000000002 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 p -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 111.117 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -51.82 -29.95 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.510000000000005 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -63.73 -67.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.209999999999994 110.85 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -44.11 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.040000000000006 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.0 mt -56.41 -66.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 73.019999999999996 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.1 -32.08 45.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 111.061 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.1 -70.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 74.230000000000004 110.965 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -162.74 47.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.865 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.62 165.63 28.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.893 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 70.230000000000004 110.895 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.83 166.3 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 34.340000000000003 112.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.6 138.85 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 71.340000000000003 112.511 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -154.87 -179.88 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 73.109999999999999 110.839 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 p -140.86 132.9 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 72.109999999999999 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 72.310000000000002 110.888 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 53.37 41.07 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 60.210000000000001 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 18.13 73.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 71.530000000000001 112.472 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.33 129.89 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 74.219999999999999 111.128 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 m -72.82 119.11 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.02 121.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.165 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -97.61 139.7 33.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.310000000000002 110.884 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.847 0.356 . . . . 64.010000000000005 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.65 -51.45 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 62.210000000000001 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -61.94 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 61.329999999999998 111.076 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -51.82 -37.86 53.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -60.07 -58.78 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.340000000000003 110.884 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -42.17 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.3 mt -59.86 -69.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.219999999999999 111.129 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.24 -29.81 24.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.97 -76.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -152.43 47.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.82 -179.24 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -133.36 -45.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.894 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.09 176.6 31.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 72.209999999999994 112.437 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.99 132.81 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 44.240000000000002 112.512 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -150.79 179.84 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 54.409999999999997 110.859 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.7 t -140.38 135.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 64.099999999999994 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -139.85 144.44 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m120 55.93 26.56 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 72.530000000000001 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.01 80.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 70.230000000000004 112.462 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.49 141.84 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 72.5 111.086 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.7 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 64.329999999999998 110.9 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -143.04 121.83 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 111.097 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.86 139.63 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 64.140000000000001 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.519999999999996 110.851 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 73.239999999999995 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.06 -35.37 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 65.340000000000003 110.929 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.02 -32.15 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.947 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -65.59 -68.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 110.892 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.099999999999994 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.05 -66.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.019999999999996 111.097 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.2 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.063 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.63 -73.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.319999999999993 110.926 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 45.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 110.87 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.13 178.44 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.888 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -37.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 72.530000000000001 110.911 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.14 170.0 14.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 54.130000000000003 112.482 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.18 147.56 14.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 75.319999999999993 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -151.16 179.99 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 62.439999999999998 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -145.64 137.71 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.863 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -155.68 151.51 27.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.887 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 54.82 39.8 31.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.420000000000002 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.44 18.62 51.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 65.230000000000004 112.487 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.23 138.29 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 71.230000000000004 111.164 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -75.79 142.41 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.349999999999994 110.875 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.41 155.54 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 111.132 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -102.94 157.38 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.340000000000003 110.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.854 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 73.349999999999994 111.13 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 p -51.92 -40.89 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.862 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -62.2 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 62.539999999999999 111.12 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.82 -40.27 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.150000000000006 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -58.62 -61.6 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 60.549999999999997 110.864 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -51.99 -46.34 64.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.29 -62.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 62.109999999999999 111.09 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.82 -30.48 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.95 -66.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.310000000000002 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -164.97 31.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.420000000000002 110.82 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -127.52 178.15 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -130.97 -44.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 74.540000000000006 110.85 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.32 167.46 15.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 71.409999999999997 112.481 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.14 134.7 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 64.219999999999999 112.516 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -149.43 155.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 65.439999999999998 110.878 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.4 t -116.73 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.010000000000005 110.835 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.91 132.42 52.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.099999999999994 110.926 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 52.07 35.0 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 72.430000000000007 110.876 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.27 28.2 70.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 72.140000000000001 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -125.82 137.34 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 72.310000000000002 111.111 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.22 122.28 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.8 t -135.51 100.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 111.127 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.36 134.65 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.420000000000002 110.917 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.831 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 62.509999999999998 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.53 -41.57 81.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.530000000000001 110.875 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -70.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 65.430000000000007 111.101 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.04 -30.88 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 64.239999999999995 110.891 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.9 -62.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 110.866 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -43.23 77.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 71.299999999999997 110.896 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.75 -67.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 74.150000000000006 111.103 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.2 44.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 54.329999999999998 111.06 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -66.98 -72.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -158.87 47.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.876 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.84 176.07 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.6 -37.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.89 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 165.24 12.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 75.409999999999997 112.469 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.88 136.57 4.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 62.439999999999998 112.508 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -152.97 155.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 70.510000000000005 110.868 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.4 t -94.3 128.45 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 72.219999999999999 110.866 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.34 133.41 47.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.019999999999996 110.936 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.5 t30 53.65 45.96 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 110.881 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.71 19.57 49.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 74.409999999999997 112.461 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.01 130.4 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 75.400000000000006 111.096 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.52 139.32 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.409999999999997 110.829 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t -139.37 136.27 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 73.040000000000006 111.145 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 m -88.8 145.74 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 64.340000000000003 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 75.099999999999994 110.881 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 73.010000000000005 111.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.75 -46.09 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.19 -67.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 54.439999999999998 111.123 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 pp -51.82 -35.42 44.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 72.219999999999999 110.942 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -58.69 -63.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.861 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -55.81 -46.53 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.120000000000005 110.886 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.1 mt -52.62 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 111.103 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.84 66.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 111.121 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.75 -65.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.430000000000007 110.929 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -167.21 32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -125.98 167.61 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.020000000000003 110.934 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.82 -45.81 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.340000000000003 110.864 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.1 169.86 16.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 64.209999999999994 112.456 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.52 146.68 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 71.329999999999998 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -159.49 -179.95 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 72.040000000000006 110.879 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 m -122.44 158.4 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.51 136.5 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 65.420000000000002 110.89 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 53.03 44.32 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 110.861 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.59 18.83 46.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 63.130000000000003 112.458 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.97 140.83 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.099999999999994 111.139 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -74.25 140.09 44.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.219999999999999 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -143.64 121.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 65.219999999999999 111.147 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.73 137.18 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.519999999999996 110.851 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 73.510000000000005 111.12 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.5 t -55.2 -43.01 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 65.010000000000005 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 73.150000000000006 111.17 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 pp -51.79 -33.81 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.932 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.450000000000003 110.859 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -51.05 59.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 45.43 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.8 mt -53.24 -65.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 71.25 111.15 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.34 -29.67 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 111.106 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.11 -75.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 64.329999999999998 110.919 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -152.76 33.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.38 -178.31 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.129999999999995 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -125.58 -38.59 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.905 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.84 -176.7 14.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 74.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.12 152.32 22.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 72.439999999999998 112.479 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -145.46 -179.98 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 64.239999999999995 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -129.08 130.72 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 72.299999999999997 110.887 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -146.94 140.66 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.07 38.23 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.886 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.76 18.49 61.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 62.340000000000003 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.3 t -121.66 147.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 75.230000000000004 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.2 106.98 17.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 75.109999999999999 110.878 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.07 138.42 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.125 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -97.66 132.29 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.845 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.837 0.351 . . . . 75.230000000000004 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.6 t -54.63 -35.55 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.871 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.87 -35.09 43.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.941 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.87 -58.67 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 110.885 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -49.64 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.409999999999997 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -54.7 -61.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.0 -30.04 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.519999999999996 111.147 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.64 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -163.18 33.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.892 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -132.68 -179.01 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 72.439999999999998 110.909 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -118.13 -46.47 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 73.510000000000005 110.861 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 178.5 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 62.439999999999998 112.516 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 159.96 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 72.040000000000006 112.512 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -160.1 180.0 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 70.25 110.861 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.2 m -138.62 146.74 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 64.310000000000002 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.46 130.1 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.899 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 55.93 43.75 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.109999999999999 110.92 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.19 16.61 58.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 50.100000000000001 112.487 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.64 134.9 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 71.340000000000003 111.122 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.86 117.52 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.865 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.93 125.58 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 111.161 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 m -86.75 143.73 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 71.420000000000002 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 73.430000000000007 110.848 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.877 0.37 . . . . 75.040000000000006 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.8 p -55.93 -39.14 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -70.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 60.119999999999997 111.052 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -52.01 -34.95 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 74.010000000000005 110.897 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -63.1 -60.01 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.868 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -43.81 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 110.856 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.1 mt -59.02 -68.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.120000000000005 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.99 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 111.102 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -69.69 -76.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 110.891 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -152.16 48.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.019999999999996 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 179.55 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.510000000000005 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -131.63 -54.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 110.891 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.11 -178.35 22.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 74.310000000000002 112.483 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.93 160.93 34.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 65.200000000000003 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 t -157.18 170.37 22.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.407 . . . . 73.120000000000005 110.833 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -108.52 136.93 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.73 109.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.915 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 53.42 28.48 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.91 18.25 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 74.030000000000001 112.471 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.35 131.56 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.329999999999998 111.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.6 t -76.43 105.75 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 63.240000000000002 110.835 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.87 122.25 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.239999999999995 111.085 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.86 159.82 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 65.25 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.871 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 73.450000000000003 111.09 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -55.89 -49.89 72.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.349999999999994 110.906 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.42 -61.46 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.450000000000003 111.097 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.44 -37.82 57.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 75.310000000000002 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -59.96 -61.49 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 71.239999999999995 110.842 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.24 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.219999999999999 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.53 -63.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 75.349999999999994 111.14 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -29.93 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 111.138 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -71.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.02 32.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -130.43 -179.81 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 64.109999999999999 110.86 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -128.84 -39.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.904 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.79 165.46 12.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 75.019999999999996 112.509 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.78 151.33 22.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 44.109999999999999 112.483 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -160.78 -179.98 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 71.209999999999994 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.21 159.73 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 75.150000000000006 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -172.74 141.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.0 m120 53.2 41.89 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.942 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 18.54 46.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 74.450000000000003 112.458 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -130.1 140.65 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.377 . . . . 72.230000000000004 111.132 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.0 p -74.33 130.57 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 73.439999999999998 110.834 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -123.88 150.71 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.094 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -101.47 156.58 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.230000000000004 110.827 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 55.109999999999999 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -54.53 -44.35 72.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.400000000000006 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 111.126 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.71 -31.04 24.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 73.019999999999996 110.926 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.22 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.851 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -41.93 76.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 mt -58.1 -66.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.530000000000001 111.166 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.86 60.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 111.091 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.42 -73.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -155.52 42.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 75.540000000000006 110.839 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.7 -169.88 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.93 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -136.82 -41.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 71.310000000000002 110.857 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.5 169.72 19.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 61.109999999999999 112.492 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.06 153.63 23.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 73.230000000000004 112.487 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -153.48 -179.65 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 75.120000000000005 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 t -104.84 116.52 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 64.349999999999994 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.69 126.01 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 74.25 110.943 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 55.56 26.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.912 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.03 23.17 57.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 64.439999999999998 112.496 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.4 t -135.53 134.84 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 74.319999999999993 111.153 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 t -65.1 105.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.25 138.62 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 111.141 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.4 m -92.61 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.85 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.918 0.389 . . . . 74.439999999999998 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.1 p -126.4 -37.52 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 65.040000000000006 111.156 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t -93.05 43.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -105.01 98.61 8.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 73.530000000000001 110.889 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.12 -30.64 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 111.132 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.04 146.36 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 64.329999999999998 110.928 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 t -132.95 159.13 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 72.140000000000001 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -139.22 171.68 13.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.200000000000003 110.925 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -76.24 90.11 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 110.871 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.94 73.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 64.340000000000003 111.084 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -87.09 94.92 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 70.129999999999995 110.946 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.82 25.92 30.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 73.219999999999999 112.455 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 mm -124.52 138.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 74.040000000000006 111.134 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.04 111.85 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.11 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.71 144.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 73.019999999999996 111.157 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.2 127.87 31.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -146.57 157.93 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -65.13 93.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.010000000000005 110.868 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.15 -40.39 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 53.229999999999997 111.093 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -54.62 -39.1 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -69.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.88 -30.39 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -63.44 -63.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 110.886 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -42.18 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.78 -67.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 64.030000000000001 111.151 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.86 37.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.08 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.89 -75.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 74.409999999999997 110.924 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -152.11 47.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 75.409999999999997 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -153.13 -174.64 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.430000000000007 110.925 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -136.34 -41.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.906 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 173.44 17.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 52.329999999999998 112.526 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.17 152.52 24.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 65.319999999999993 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 t -156.97 165.96 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 74.049999999999997 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.93 153.5 47.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.549999999999997 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -146.55 113.95 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 70.230000000000004 110.942 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.96 44.15 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.901 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.4 18.78 78.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 63.5 112.471 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.7 132.93 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 64.239999999999995 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.3 t -71.28 126.51 29.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 75.120000000000005 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.21 125.12 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.019999999999996 111.089 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.2 m -88.19 147.4 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 75.209999999999994 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -150.18 169.06 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.040000000000006 110.914 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -89.77 -44.55 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.88 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 22.41 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.937 0.398 . . . . 73.319999999999993 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -131.18 168.69 17.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 64.299999999999997 111.119 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t 57.29 40.99 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.329999999999998 110.894 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -93.57 -25.65 17.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.79 56.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.030000000000001 111.138 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.26 135.31 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.329999999999998 110.958 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.3 p -163.85 144.32 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 110.875 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -82.24 -26.99 32.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.209999999999994 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.31 106.01 12.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.5 63.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 64.230000000000004 111.106 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -124.71 26.08 7.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.319999999999993 110.935 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.68 -21.31 5.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 73.109999999999999 112.503 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -82.65 -28.26 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 74.230000000000004 111.187 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.69 166.61 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 64.310000000000002 111.109 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.13 149.06 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 72.420000000000002 111.129 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 59.03 46.14 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.889 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -52.23 156.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 110.84 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.28 110.25 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.893 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -36.84 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 74.230000000000004 111.076 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.33 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 74.219999999999999 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.15 -69.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 73.450000000000003 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.65 -30.7 22.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 75.230000000000004 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -63.13 -64.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.851 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -44.43 69.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.2 mt -55.14 -62.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 75.340000000000003 111.133 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.67 66.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 64.5 111.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -65.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.430000000000007 110.952 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.47 44.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.409999999999997 110.863 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.48 163.39 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.877 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -38.88 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 110.905 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.63 176.05 25.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.754 . . . . 74.430000000000007 112.498 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.12 111.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 63.240000000000002 112.504 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -128.16 -179.96 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 74.120000000000005 110.86 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 m -132.87 134.38 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 73.450000000000003 110.866 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -129.2 131.19 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 54.88 43.87 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.530000000000001 110.88 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.46 18.8 61.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 73.439999999999998 112.492 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.3 t -120.96 147.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 75.150000000000006 111.132 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.71 124.99 27.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 64.340000000000003 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -136.46 105.22 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.430000000000007 111.118 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.11 134.76 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.873 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -131.49 172.13 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 74.400000000000006 110.845 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -68.52 -28.24 66.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 71.230000000000004 110.9 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 43.329999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.886 0.374 . . . . 74.420000000000002 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -59.53 -67.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 111.166 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 t -76.17 -22.58 55.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.120000000000005 110.9 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.76 26.45 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 64.299999999999997 110.853 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -97.9 42.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.239999999999995 111.155 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.8 26.24 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.310000000000002 110.908 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.2 p -170.97 159.31 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 61.200000000000003 110.884 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.68 -28.24 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 73.519999999999996 110.836 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.94 61.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.049999999999997 110.843 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.15 106.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 111.124 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.78 91.85 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 75.040000000000006 110.927 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.8 89.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 62.240000000000002 112.465 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mp -131.94 -72.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 73.25 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.58 153.69 22.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 70.349999999999994 111.108 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.0 t -84.53 -25.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 74.200000000000003 111.163 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -88.69 50.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 64.409999999999997 110.878 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -70.4 -173.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.835 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -52.69 121.09 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.510000000000005 110.845 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.89 -30.47 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 73.120000000000005 111.133 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 t -54.34 -42.85 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.918 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.31 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 111.093 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.88 -32.59 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.947 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -62.51 -63.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.439999999999998 110.809 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -46.96 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.911 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.42 -61.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.141 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.26 -30.05 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 111.082 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -70.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.409999999999997 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -159.65 45.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.540000000000006 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.57 179.4 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -118.3 -31.69 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.439999999999998 110.912 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.58 179.9 18.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 63.140000000000001 112.482 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.99 158.2 28.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 74.430000000000007 112.454 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -161.12 175.67 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 74.329999999999998 110.902 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 t -138.34 139.99 39.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 70.109999999999999 110.901 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -143.61 143.18 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.120000000000005 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m120 55.58 26.92 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 73.340000000000003 110.906 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.72 22.97 76.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.727 . . . . 43.200000000000003 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.39 139.91 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 65.230000000000004 111.135 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.47 138.09 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 64.310000000000002 110.89 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -143.9 129.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 111.113 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -85.19 147.81 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.549999999999997 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -150.82 174.34 13.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -137.54 136.01 37.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.010000000000005 110.91 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 41.009999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.936 0.398 . . . . 73.430000000000007 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.51 162.42 36.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 m -82.12 57.7 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 74.230000000000004 110.844 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -104.5 -42.49 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.319999999999993 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.65 48.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 111.17 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.2 mt -52.53 135.41 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 72.430000000000007 110.966 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 p -167.47 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.842 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.13 128.08 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.310000000000002 110.875 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -162.49 131.2 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 72.239999999999995 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.56 143.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.129 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 63.95 19.99 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 63.240000000000002 110.939 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.43 59.93 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 60.039999999999999 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.1 -25.25 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 75.430000000000007 111.141 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.55 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 64.109999999999999 111.094 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -162.5 142.81 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.113 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.17 -45.24 65.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.329999999999998 110.913 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -52.18 169.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 75.420000000000002 110.854 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t 63.17 54.26 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 70.040000000000006 110.882 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.37 72.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 64.040000000000006 111.058 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.0 t -57.31 -41.93 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 62.219999999999999 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -69.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.89 -30.74 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 74.530000000000001 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.63 -62.69 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.009999999999998 110.789 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -43.53 70.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 73.239999999999995 110.902 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.39 -68.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.239999999999995 111.073 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.16 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 61.409999999999997 111.135 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.58 -71.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.874 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -158.96 49.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.239999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -151.47 -177.7 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -134.06 -41.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 110.892 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.6 178.36 22.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.489 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.59 145.13 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 72.329999999999998 112.446 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -155.8 178.5 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 74.140000000000001 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 m -133.21 138.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 44.310000000000002 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -133.85 127.78 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.329999999999998 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m120 53.51 39.6 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.943 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.68 72.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 55.210000000000001 112.506 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.2 t -122.26 138.2 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 73.150000000000006 111.126 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.13 129.32 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.420000000000002 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.0 t -133.1 126.41 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.082 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 m -87.2 153.11 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.439999999999998 110.87 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.19 149.57 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -83.29 26.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.140000000000001 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 34.439999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 72.329999999999998 111.108 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -61.42 -44.29 97.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 111.135 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 48.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 75.310000000000002 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.17 113.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -81.12 57.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.040000000000006 111.173 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.47 156.08 19.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.439999999999998 110.962 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -97.08 119.72 36.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 60.350000000000001 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -157.11 166.55 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 75.019999999999996 110.856 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -53.64 -34.11 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.88 43.15 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 61.219999999999999 111.095 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -111.99 25.64 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 72.340000000000003 110.914 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.64 56.8 13.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 75.120000000000005 112.503 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 mp -99.41 -72.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 71.519999999999996 111.137 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.85 25.02 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 62.210000000000001 111.144 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -103.47 118.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 71.319999999999993 111.117 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -133.1 37.13 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 75.310000000000002 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -116.78 34.47 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.340000000000003 110.862 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 p -122.29 35.71 4.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 53.340000000000003 110.813 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.51 97.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 111.09 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -57.18 -41.27 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -69.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 54.399999999999999 111.105 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 pp -51.97 -34.97 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 110.896 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -62.86 -64.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.150000000000006 110.856 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -42.69 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 64.129999999999995 110.874 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.1 mt -60.03 -68.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 72.200000000000003 111.136 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.1 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.131 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.68 -74.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -156.09 46.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 178.45 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.889 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -39.98 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 73.319999999999993 110.89 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.07 176.84 17.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 75.329999999999998 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.84 150.07 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 64.109999999999999 112.506 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -157.43 179.99 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 73.349999999999994 110.825 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -131.15 133.81 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 71.319999999999993 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -120.73 118.85 31.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.219999999999999 110.964 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.38 36.42 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.853 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.44 20.26 77.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 72.430000000000007 112.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.3 t -119.34 126.87 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 74.120000000000005 111.141 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.17 124.33 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 71.120000000000005 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.79 134.7 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 111.092 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -94.8 154.87 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.519999999999996 110.863 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -154.6 157.13 37.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.230000000000004 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -103.51 38.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.881 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 32.130000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.955 0.407 . . . . 71.540000000000006 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -130.53 162.56 28.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 74.5 111.129 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t 57.05 26.36 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.019999999999996 110.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.57 118.89 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.64 -25.81 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 111.166 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.2 mt -60.88 120.97 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 65.230000000000004 110.937 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -164.39 149.59 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.891 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.88 154.13 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.29 90.17 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 72.530000000000001 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.95 115.09 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.200000000000003 111.142 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -116.47 158.15 24.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.46 -19.85 5.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 74.420000000000002 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.16 -28.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 63.420000000000002 111.142 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.78 40.7 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.0 m -53.86 148.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 70.030000000000001 111.178 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -121.78 134.58 54.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.129999999999995 110.895 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -120.61 67.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.420000000000002 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -174.0 112.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 60.140000000000001 110.861 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.75 -31.59 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 72.420000000000002 111.087 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 m -58.49 -32.53 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.030000000000001 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -70.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 111.083 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -33.14 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.941 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.69 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 110.864 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -44.56 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 110.862 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.88 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 111.13 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.98 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 62.329999999999998 111.081 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -69.41 -74.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -154.48 47.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 72.129999999999995 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -150.08 178.66 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -123.15 -35.65 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 74.420000000000002 110.893 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.24 153.58 17.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 72.019999999999996 112.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.88 148.18 19.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 54.310000000000002 112.488 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -161.51 179.89 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 62.43 110.876 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.6 t -127.97 118.94 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 63.539999999999999 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -112.33 131.48 55.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.864 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.8 m120 52.23 42.27 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.889 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.75 24.68 68.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 72.5 112.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.22 145.69 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 75.540000000000006 111.12 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.13 119.23 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.83 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 111.136 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.12 146.39 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 51.149999999999999 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -142.18 177.63 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.219999999999999 110.858 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -106.44 163.47 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 110.921 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 60.420000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.9 0.381 . . . . 54.210000000000001 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.3 p -135.63 -179.05 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 61.030000000000001 111.188 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m 59.29 46.26 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.8 -39.06 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.872 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 m -62.05 -25.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 65.150000000000006 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.9 mt 56.43 39.19 30.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 75.219999999999999 110.885 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -63.45 143.95 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 74.219999999999999 110.82 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -74.19 -27.13 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 75.329999999999998 110.873 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.38 102.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 72.099999999999994 110.884 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.74 26.48 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 111.134 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -135.97 119.93 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 110.845 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.77 33.37 3.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 64.200000000000003 112.449 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mp -104.89 -27.47 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 74.150000000000006 111.108 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.3 41.25 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.530000000000001 111.101 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.9 t -135.49 136.43 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 62.310000000000002 111.11 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -117.94 77.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 73.329999999999998 110.904 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -120.18 37.32 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.828 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.37 93.48 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 70.109999999999999 110.848 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.44 57.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.540000000000006 111.075 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 t -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -67.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 74.25 111.127 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.75 -31.29 26.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 74.200000000000003 110.869 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.01 -67.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.510000000000005 110.866 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -46.47 63.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.904 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -55.81 -66.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 71.310000000000002 111.155 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.94 27.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.150000000000006 111.133 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -66.58 -75.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.916 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -156.1 42.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 75.129999999999995 110.852 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 172.91 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -128.23 -38.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 63.340000000000003 110.911 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.0 31.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 72.319999999999993 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 117.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 62.020000000000003 112.534 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -138.9 179.99 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 71.400000000000006 110.875 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.99 135.03 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 65.030000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -139.31 140.88 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.911 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.88 25.3 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.888 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.3 3.6 88.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 61.530000000000001 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.64 148.39 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 74.400000000000006 111.136 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 p -74.27 141.02 45.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -148.03 123.02 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.049999999999997 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.93 140.46 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.842 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -124.94 147.23 48.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.049999999999997 110.91 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.54 -53.4 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 110.891 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 21.510000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.971 0.415 . . . . 75.329999999999998 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 158.77 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 73.439999999999998 111.167 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 t -128.84 30.73 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 73.120000000000005 110.862 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t0 53.01 29.21 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 82.6 t -73.95 80.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.129999999999995 111.101 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 pp -168.43 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.319999999999993 110.941 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -103.5 141.05 36.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -55.61 130.7 44.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 74.129999999999995 110.913 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -153.93 125.33 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.903 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 16.4 26.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.450000000000003 111.084 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -131.78 23.34 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.349999999999994 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.31 57.31 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 63.329999999999998 112.497 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.02 127.89 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 72.420000000000002 111.103 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.77 -174.67 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 111.102 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.92 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 111.152 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.15 120.3 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.140000000000001 110.939 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -171.55 156.05 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.219999999999999 110.854 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -78.73 65.87 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 65.129999999999995 110.85 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.53 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 71.439999999999998 111.1 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.6 -39.67 65.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.340000000000003 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -70.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.144 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.99 -30.65 26.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 75.010000000000005 110.933 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -63.8 -62.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.230000000000004 110.844 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.78 -67.47 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 111.175 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.03 -30.04 33.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.420000000000002 111.106 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.08 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -155.08 46.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.010000000000005 110.868 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -179.35 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.895 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -133.44 -40.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 73.420000000000002 110.861 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.07 165.15 14.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 72.109999999999999 112.475 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.22 140.2 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 64.510000000000005 112.478 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -146.06 -179.87 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 75.239999999999995 110.849 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 t -137.35 113.54 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.219999999999999 110.867 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -116.99 139.23 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 71.230000000000004 110.904 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 53.27 42.07 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.871 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.77 18.59 59.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 75.319999999999993 112.536 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.5 t -124.32 131.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 71.030000000000001 111.094 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.87 141.15 51.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.439999999999998 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.41 147.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.439999999999998 111.123 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 m -93.13 143.5 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.907 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.34 107.91 13.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 70.109999999999999 110.878 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -68.58 144.76 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.310000000000002 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 55.119999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.933 0.397 . . . . 74.099999999999994 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -123.71 167.98 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 m 58.72 35.97 24.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.03 26.21 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 70.209999999999994 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.81 66.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 73.450000000000003 111.09 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.17 26.0 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 110.961 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 m -104.53 167.42 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 110.867 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -89.72 -176.1 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 64.239999999999995 110.903 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -70.72 83.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 64.340000000000003 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.37 -8.4 9.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 111.148 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt 63.13 25.95 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.15 50.34 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 62.109999999999999 112.478 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.1 mm -73.46 143.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 72.209999999999994 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.71 170.64 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 62.219999999999999 111.11 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.61 -33.01 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 64.319999999999993 111.099 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -75.77 88.07 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.140000000000001 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -85.31 155.79 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.040000000000006 110.885 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -71.24 117.96 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.329999999999998 110.836 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.33 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 64.400000000000006 111.081 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.76 -39.45 68.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 60.140000000000001 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -70.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 73.200000000000003 111.05 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.93 -32.1 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 110.932 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.71 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.88 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -43.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.71 -67.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.132 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.03 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 61.32 111.108 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.09 -71.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 71.030000000000001 110.937 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -158.88 49.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 75.349999999999994 110.846 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.2 178.43 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.909 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 74.129999999999995 110.899 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.03 168.45 12.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 64.120000000000005 112.51 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 140.65 6.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 40.5 112.481 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.6 p -156.62 179.98 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 64.310000000000002 110.856 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.9 t -119.87 136.16 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -133.45 135.97 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.934 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 53.86 36.87 25.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.862 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.94 21.61 73.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 74.209999999999994 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.17 132.45 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 73.120000000000005 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 m -61.06 135.56 57.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 62.5 110.855 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.66 139.54 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.120000000000005 111.16 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -89.78 152.36 21.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -152.0 162.75 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 73.239999999999995 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -103.5 149.24 25.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 75.310000000000002 110.885 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.129999999999995 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.971 0.415 . . . . 73.230000000000004 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -137.5 173.94 11.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 64.040000000000006 111.146 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 t 63.09 34.47 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 61.240000000000002 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -67.78 -26.21 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.808 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.4 95.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -111.73 36.05 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 72.519999999999996 110.887 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -111.09 129.77 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -115.02 -27.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.864 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.7 -30.66 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.230000000000004 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.69 67.18 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.083 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -99.25 31.08 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 75.420000000000002 110.895 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 -19.57 9.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 63.299999999999997 112.527 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mp -95.43 -21.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 73.310000000000002 111.13 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.02 43.25 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 111.096 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.56 -24.75 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 74.310000000000002 111.163 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -71.39 81.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.922 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -128.6 142.44 51.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 p -138.76 141.23 38.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.841 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 p -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 111.117 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -51.82 -29.95 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.510000000000005 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -63.73 -67.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 71.209999999999994 110.85 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -44.11 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.040000000000006 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.0 mt -56.41 -66.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 73.019999999999996 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.1 -32.08 45.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 111.061 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.1 -70.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 74.230000000000004 110.965 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -162.74 47.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.865 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.62 165.63 28.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.893 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 70.230000000000004 110.895 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.83 166.3 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 34.340000000000003 112.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.6 138.85 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 71.340000000000003 112.511 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -154.87 -179.88 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 73.109999999999999 110.839 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 p -140.86 132.9 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 72.109999999999999 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 72.310000000000002 110.888 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 53.37 41.07 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 60.210000000000001 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 18.13 73.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 71.530000000000001 112.472 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.33 129.89 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 74.219999999999999 111.128 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 m -72.82 119.11 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.02 121.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.165 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -97.61 139.7 33.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -122.07 167.17 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.310000000000002 110.884 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.04 81.52 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 52.219999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.889 0.376 . . . . 64.049999999999997 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.7 p -91.72 169.54 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.129999999999995 111.157 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m 60.48 48.21 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 71.209999999999994 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.55 92.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.892 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 m -104.27 34.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 111.17 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.66 162.92 2.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.913 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.4 m -58.02 102.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.349999999999994 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -145.4 178.27 8.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 75.530000000000001 110.837 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -66.62 -74.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.21 144.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.420000000000002 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt 63.79 19.97 11.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 71.400000000000006 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 54.64 4.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 72.400000000000006 112.471 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -94.52 135.58 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 71.349999999999994 111.123 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.68 35.71 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 75.329999999999998 111.088 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.95 140.45 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 111.077 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.83 26.21 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 71.299999999999997 110.879 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -173.16 143.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 73.420000000000002 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 p -111.19 77.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 70.420000000000002 110.891 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.95 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 64.010000000000005 111.117 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.65 -51.45 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 62.210000000000001 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -61.94 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 61.329999999999998 111.076 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -51.82 -37.86 53.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -60.07 -58.78 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.340000000000003 110.884 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -42.17 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.3 mt -59.86 -69.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.219999999999999 111.129 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.24 -29.81 24.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.97 -76.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -152.43 47.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.82 -179.24 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt -133.36 -45.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.894 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.09 176.6 31.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 72.209999999999994 112.437 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.99 132.81 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 44.240000000000002 112.512 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -150.79 179.84 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 54.409999999999997 110.859 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.7 t -140.38 135.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 64.099999999999994 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -139.85 144.44 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m120 55.93 26.56 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 72.530000000000001 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.01 80.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 70.230000000000004 112.462 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.49 141.84 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 72.5 111.086 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.7 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 64.329999999999998 110.9 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -143.04 121.83 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 111.097 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.86 139.63 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 64.140000000000001 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.12 172.83 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.519999999999996 110.851 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.97 150.45 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.420000000000002 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 74.420000000000002 111.086 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -90.98 168.13 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 111.147 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 m -86.31 54.47 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 110.863 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -66.11 90.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 54.219999999999999 110.876 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -116.82 -17.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 74.349999999999994 111.083 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 pp -51.65 168.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.3 p -60.88 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 63.43 110.864 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 58.76 -177.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.540000000000006 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.32 89.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.97 83.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.129999999999995 111.095 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 59.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 70.540000000000006 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.65 60.47 8.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.722 . . . . 73.420000000000002 112.431 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.72 136.77 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 75.129999999999995 111.116 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.56 62.82 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.108 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -146.33 148.27 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 111.148 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -60.56 97.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.340000000000003 110.858 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -135.56 49.59 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.31 71.36 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 64.549999999999997 110.832 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.84 -58.64 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 73.239999999999995 111.08 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.06 -35.37 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 65.340000000000003 110.929 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.02 -32.15 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.947 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -65.59 -68.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 110.892 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.099999999999994 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.05 -66.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.019999999999996 111.097 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.2 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.063 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -67.63 -73.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.319999999999993 110.926 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 45.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 110.87 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.13 178.44 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.888 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -37.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 72.530000000000001 110.911 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.14 170.0 14.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 54.130000000000003 112.482 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.18 147.56 14.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 75.319999999999993 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -151.16 179.99 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 62.439999999999998 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -145.64 137.71 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.863 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -155.68 151.51 27.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.887 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 54.82 39.8 31.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.420000000000002 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.44 18.62 51.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 65.230000000000004 112.487 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.23 138.29 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 71.230000000000004 111.164 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -75.79 142.41 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.349999999999994 110.875 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.41 155.54 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 111.132 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -102.94 157.38 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.340000000000003 110.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -157.1 155.84 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.854 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.58 -24.73 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.867 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 14.01 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.909 0.385 . . . . 75.450000000000003 111.135 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -95.98 -49.75 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 111.085 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.6 t -88.35 -22.65 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 110.899 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.27 102.04 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.120000000000005 110.917 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.1 t -116.8 71.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 mt -132.1 48.02 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 72.340000000000003 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -85.98 -25.55 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.835 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -153.58 165.19 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 110.905 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -97.72 25.39 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.549999999999997 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.72 -8.05 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 64.239999999999995 111.091 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.19 24.04 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 63.240000000000002 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.71 50.19 0.82 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 71.200000000000003 112.484 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.11 144.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 74.450000000000003 111.139 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 93.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.310000000000002 111.118 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 t -139.33 151.34 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 111.128 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.48 72.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.867 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -133.56 131.07 39.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 75.030000000000001 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.4 p -153.44 138.72 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 74.510000000000005 110.846 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.12 -43.2 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.349999999999994 111.13 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 p -51.92 -40.89 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.862 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -62.2 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 62.539999999999999 111.12 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.82 -40.27 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.150000000000006 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -58.62 -61.6 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 60.549999999999997 110.864 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -51.99 -46.34 64.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.1 mt -53.29 -62.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 62.109999999999999 111.09 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.82 -30.48 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 73.099999999999994 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.95 -66.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.310000000000002 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -164.97 31.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.420000000000002 110.82 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -127.52 178.15 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -130.97 -44.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 74.540000000000006 110.85 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.32 167.46 15.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 71.409999999999997 112.481 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.14 134.7 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 64.219999999999999 112.516 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -149.43 155.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 65.439999999999998 110.878 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.4 t -116.73 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.010000000000005 110.835 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.91 132.42 52.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.099999999999994 110.926 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 52.07 35.0 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 72.430000000000007 110.876 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.27 28.2 70.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 72.140000000000001 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -125.82 137.34 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 72.310000000000002 111.111 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.22 122.28 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 63.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.8 t -135.51 100.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 111.127 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.36 134.65 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.420000000000002 110.917 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -116.69 158.38 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -80.86 32.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 70.239999999999995 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 34.149999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.97 0.414 . . . . 72.519999999999996 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -115.7 -32.67 5.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.400000000000006 111.13 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -100.08 39.75 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 52.229999999999997 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -112.14 -26.25 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 64.510000000000005 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.93 -25.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.114 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt 52.66 45.25 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -116.56 44.35 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.349999999999994 110.909 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -114.05 -27.39 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 75.140000000000001 110.85 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.17 82.11 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 65.430000000000007 110.892 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.51 113.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 70.430000000000007 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -104.54 35.56 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.79 -20.14 9.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 61.399999999999999 112.482 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.15 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 75.400000000000006 111.151 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.81 33.22 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 63.200000000000003 111.093 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -137.81 149.54 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 65.109999999999999 111.119 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -97.5 126.58 42.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 73.510000000000005 110.899 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -110.8 42.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.838 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 p -131.85 86.6 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 60.219999999999999 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.38 87.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 62.509999999999998 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.53 -41.57 81.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.530000000000001 110.875 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -70.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 65.430000000000007 111.101 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.04 -30.88 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 64.239999999999995 110.891 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -62.9 -62.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 110.866 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -43.23 77.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 71.299999999999997 110.896 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.75 -67.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 74.150000000000006 111.103 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.2 44.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 54.329999999999998 111.06 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -66.98 -72.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -158.87 47.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.876 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.84 176.07 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.6 -37.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.89 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 165.24 12.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 75.409999999999997 112.469 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.88 136.57 4.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 62.439999999999998 112.508 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -152.97 155.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 70.510000000000005 110.868 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.4 t -94.3 128.45 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 72.219999999999999 110.866 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.34 133.41 47.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.019999999999996 110.936 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.5 t30 53.65 45.96 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 110.881 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.71 19.57 49.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 74.409999999999997 112.461 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.01 130.4 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 75.400000000000006 111.096 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.52 139.32 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.409999999999997 110.829 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t -139.37 136.27 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 73.040000000000006 111.145 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 m -88.8 145.74 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 64.340000000000003 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -146.32 162.26 38.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 75.099999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -93.02 29.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.889 0.375 . . . . 64.140000000000001 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.0 m -132.26 -64.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 111.14 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.9 50.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.29 30.46 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.450000000000003 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.17 77.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 74.140000000000001 111.104 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.15 22.64 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.915 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.4 m -162.61 103.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.875 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -72.99 165.47 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 73.230000000000004 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -134.69 116.7 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 75.099999999999994 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.73 97.85 11.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 111.097 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -170.98 144.49 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 64.439999999999998 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.72 49.07 3.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 74.230000000000004 112.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -136.94 -41.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 63.439999999999998 111.158 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.31 177.57 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 61.450000000000003 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.82 150.1 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.049999999999997 111.133 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -82.7 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 64.010000000000005 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -104.75 30.25 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.109999999999999 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.8 80.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 72.340000000000003 110.867 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.8 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.010000000000005 111.129 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.75 -46.09 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.19 -67.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 54.439999999999998 111.123 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 pp -51.82 -35.42 44.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 72.219999999999999 110.942 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -58.69 -63.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.861 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -55.81 -46.53 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.120000000000005 110.886 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.1 mt -52.62 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 111.103 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.84 66.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 111.121 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.75 -65.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.430000000000007 110.929 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -167.21 32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -125.98 167.61 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.020000000000003 110.934 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.82 -45.81 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.340000000000003 110.864 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.1 169.86 16.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 64.209999999999994 112.456 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.52 146.68 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 71.329999999999998 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -159.49 -179.95 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 72.040000000000006 110.879 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 m -122.44 158.4 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.51 136.5 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 65.420000000000002 110.89 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 53.03 44.32 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 110.861 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.59 18.83 46.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 63.130000000000003 112.458 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.97 140.83 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.099999999999994 111.139 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -74.25 140.09 44.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.219999999999999 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -143.64 121.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 65.219999999999999 111.147 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.73 137.18 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -129.01 173.51 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.519999999999996 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -96.27 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.230000000000004 110.888 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 63.200000000000003 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.938 0.399 . . . . 74.450000000000003 111.155 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -126.31 -42.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 111.122 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.96 84.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 62.539999999999999 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -57.22 120.26 7.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.299999999999997 110.824 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.1 m -107.07 50.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 111.108 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -86.17 123.91 31.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.319999999999993 110.897 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -156.39 106.27 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.839 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 t80 63.18 28.25 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.9 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.21 120.62 15.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 75.439999999999998 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.72 55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 73.209999999999994 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -129.35 111.98 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 71.209999999999994 110.933 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.77 61.1 1.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 74.310000000000002 112.525 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.5 -28.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 74.319999999999993 111.133 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.58 73.36 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 72.450000000000003 111.111 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.51 -33.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 111.129 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 60.7 44.25 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -107.01 24.49 12.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 110.902 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 m -125.86 45.06 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.885 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.36 -44.71 72.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 73.510000000000005 111.12 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.5 t -55.2 -43.01 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 65.010000000000005 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 73.150000000000006 111.17 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 pp -51.79 -33.81 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.932 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.450000000000003 110.859 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -51.05 59.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 45.43 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 66.8 mt -53.24 -65.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 71.25 111.15 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.34 -29.67 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 111.106 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.11 -75.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 64.329999999999998 110.919 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -152.76 33.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.38 -178.31 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.129999999999995 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -125.58 -38.59 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.905 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.84 -176.7 14.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 74.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.12 152.32 22.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 72.439999999999998 112.479 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -145.46 -179.98 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 64.239999999999995 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -129.08 130.72 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 72.299999999999997 110.887 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -146.94 140.66 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.07 38.23 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.886 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.76 18.49 61.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 62.340000000000003 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.3 t -121.66 147.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 75.230000000000004 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.2 106.98 17.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 75.109999999999999 110.878 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.07 138.42 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.125 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -97.66 132.29 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -99.21 117.55 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.845 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -102.92 -35.56 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.420000000000002 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 22.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.898 0.38 . . . . 75.219999999999999 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -127.86 -56.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.5 111.156 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.45 49.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 75.439999999999998 110.902 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.14 -33.3 39.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 65.040000000000006 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -60.13 97.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 111.132 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 pp -118.42 27.65 8.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 73.209999999999994 110.919 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.18 178.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 61.310000000000002 110.835 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -112.33 88.55 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 75.519999999999996 110.902 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -166.34 122.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 65.120000000000005 110.86 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.94 92.77 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.076 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 175.59 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.884 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.72 33.69 6.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 71.510000000000005 112.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.52 -36.61 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 74.140000000000001 111.17 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.68 155.03 39.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 111.068 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.88 148.06 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 111.106 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -155.5 120.88 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.931 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -108.63 77.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 75.400000000000006 110.869 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -109.47 103.72 12.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.843 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.98 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.230000000000004 111.163 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.6 t -54.63 -35.55 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.871 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.87 -35.09 43.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 110.941 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.87 -58.67 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 110.885 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -49.64 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.409999999999997 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -54.7 -61.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.0 -30.04 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.519999999999996 111.147 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.64 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -163.18 33.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.892 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -132.68 -179.01 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 72.439999999999998 110.909 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -118.13 -46.47 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 73.510000000000005 110.861 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 178.5 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 62.439999999999998 112.516 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 159.96 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 72.040000000000006 112.512 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -160.1 180.0 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 70.25 110.861 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.2 m -138.62 146.74 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 64.310000000000002 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.46 130.1 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.899 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 55.93 43.75 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.109999999999999 110.92 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.19 16.61 58.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 50.100000000000001 112.487 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.64 134.9 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 71.340000000000003 111.122 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.86 117.52 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.865 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.93 125.58 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 111.161 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 m -86.75 143.73 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 71.420000000000002 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 73.430000000000007 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -90.56 85.98 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.923 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 65.129999999999995 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 74.409999999999997 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 m -87.31 -27.91 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 111.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t -97.32 34.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 72.120000000000005 110.9 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -58.21 -22.63 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.32 -9.76 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 111.128 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -51.59 152.4 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 70.140000000000001 110.926 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.9 m -145.74 -175.88 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.519999999999996 110.854 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -77.84 -74.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.2 -74.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.319999999999993 110.91 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.36 48.75 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.310000000000002 111.089 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -92.7 95.69 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 110.934 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.24 32.34 8.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 62.009999999999998 112.487 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.32 134.34 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 75.329999999999998 111.118 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.93 104.48 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 111.116 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.99 135.29 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 111.149 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.82 27.32 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 72.120000000000005 110.889 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -95.23 48.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 53.109999999999999 110.866 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 p -160.2 102.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.63 -42.87 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.040000000000006 111.122 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.8 p -55.93 -39.14 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -70.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 60.119999999999997 111.052 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -52.01 -34.95 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 74.010000000000005 110.897 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -63.1 -60.01 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.868 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -43.81 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 110.856 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.1 mt -59.02 -68.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.120000000000005 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.99 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 111.102 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -69.69 -76.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 110.891 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -152.16 48.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.019999999999996 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 179.55 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.510000000000005 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -131.63 -54.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 110.891 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.11 -178.35 22.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 74.310000000000002 112.483 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.93 160.93 34.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 65.200000000000003 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 t -157.18 170.37 22.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.407 . . . . 73.120000000000005 110.833 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -108.52 136.93 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.73 109.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.915 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 53.42 28.48 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.91 18.25 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 74.030000000000001 112.471 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.35 131.56 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.329999999999998 111.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.6 t -76.43 105.75 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 63.240000000000002 110.835 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.87 122.25 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.239999999999995 111.085 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.86 159.82 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 65.25 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -153.27 161.57 42.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -91.68 -38.38 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 40.520000000000003 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.929 0.395 . . . . 73.519999999999996 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -130.74 -39.49 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 70.209999999999994 111.11 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.75 35.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.519999999999996 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.98 25.44 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.25 110.833 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 p -105.72 23.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 75.040000000000006 111.16 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -56.99 173.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 73.540000000000006 110.944 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 p -73.7 82.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 110.875 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -167.43 138.24 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.129999999999995 110.844 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 56.68 27.86 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 72.340000000000003 110.898 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.83 78.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 61.340000000000003 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.56 91.23 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 74.310000000000002 110.891 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.92 -23.19 36.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 72.109999999999999 112.507 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 mm -80.04 148.04 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 73.409999999999997 111.14 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 128.91 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.530000000000001 111.162 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -81.07 164.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.340000000000003 111.156 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.88 88.85 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 62.149999999999999 110.907 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -65.13 153.29 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.816 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -91.51 122.84 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.439999999999998 110.84 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.51 -31.1 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 73.450000000000003 111.09 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -55.89 -49.89 72.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.349999999999994 110.906 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.42 -61.46 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.450000000000003 111.097 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.44 -37.82 57.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 75.310000000000002 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -59.96 -61.49 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 71.239999999999995 110.842 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.24 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.219999999999999 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.53 -63.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 75.349999999999994 111.14 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -29.93 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 111.138 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -71.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.02 32.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -130.43 -179.81 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 64.109999999999999 110.86 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -128.84 -39.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.904 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.79 165.46 12.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 75.019999999999996 112.509 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.78 151.33 22.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 44.109999999999999 112.483 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -160.78 -179.98 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 71.209999999999994 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.21 159.73 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 75.150000000000006 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -172.74 141.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.0 m120 53.2 41.89 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.942 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 18.54 46.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 74.450000000000003 112.458 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -130.1 140.65 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.377 . . . . 72.230000000000004 111.132 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.0 p -74.33 130.57 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 73.439999999999998 110.834 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -123.88 150.71 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.094 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -101.47 156.58 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -155.44 163.15 40.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.230000000000004 110.827 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -116.13 -27.56 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.881 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.230000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.902 0.382 . . . . 74.239999999999995 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -138.58 158.89 43.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 111.152 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -111.22 40.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 64.239999999999995 110.862 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -118.97 91.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.849 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.53 67.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 111.094 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -125.77 83.02 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.932 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 m -113.94 26.38 10.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 64.129999999999995 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -107.28 -28.8 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.841 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -77.22 61.98 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 110.853 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.88 67.59 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 72.420000000000002 111.086 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -131.18 53.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 74.299999999999997 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.84 23.1 43.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 72.519999999999996 112.503 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.41 143.62 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 72.239999999999995 111.151 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.97 83.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 72.219999999999999 111.096 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.56 135.76 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 75.400000000000006 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -131.13 66.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 55.509999999999998 110.898 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -126.2 26.02 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 65.219999999999999 110.851 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 p -125.26 27.71 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.881 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.02 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 55.109999999999999 111.104 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -54.53 -44.35 72.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.400000000000006 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 111.126 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.71 -31.04 24.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 73.019999999999996 110.926 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.22 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.851 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -41.93 76.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 mt -58.1 -66.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.530000000000001 111.166 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.86 60.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 111.091 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.42 -73.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -155.52 42.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 75.540000000000006 110.839 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.7 -169.88 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.93 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -136.82 -41.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 71.310000000000002 110.857 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.5 169.72 19.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 61.109999999999999 112.492 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.06 153.63 23.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 73.230000000000004 112.487 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -153.48 -179.65 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 75.120000000000005 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 t -104.84 116.52 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 64.349999999999994 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.69 126.01 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 74.25 110.943 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 55.56 26.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.912 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.03 23.17 57.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 64.439999999999998 112.496 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.4 t -135.53 134.84 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 74.319999999999993 111.153 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 t -65.1 105.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.25 138.62 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 111.141 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.4 m -92.61 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -137.63 146.44 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -89.8 76.15 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 51.43 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 43.13 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -54.62 -39.1 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -69.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.88 -30.39 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.495 ' N ' HD12 ' A' ' 22' ' ' LEU . 66.2 t60 -63.44 -63.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.886 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -42.18 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.656 HG23 ' HA ' ' A' ' 30' ' ' LYS . 47.4 mt -58.78 -67.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 64.03 111.151 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.86 37.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.33 111.08 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.89 -75.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 54.43 110.924 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -152.11 47.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -153.13 -174.64 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.925 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.656 ' HA ' HG23 ' A' ' 25' ' ' ILE . 23.3 mtmt -136.34 -41.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.906 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 173.44 17.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 33.34 112.526 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.17 152.52 24.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 65.32 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 t -156.97 165.96 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 74.05 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.93 153.5 47.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.55 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -146.55 113.95 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 70.23 110.942 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.96 44.15 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.901 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.4 18.78 78.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 60.5 112.471 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.7 132.93 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 60.14 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.3 t -71.28 126.51 29.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 74.22 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.21 125.12 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.02 111.089 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.2 m -88.19 147.4 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 71.32 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.04 110.914 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.789 0.328 . . . . 74.23 111.076 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.33 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 64.54 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.15 -69.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 62.04 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.3 pp -51.65 -30.7 22.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 75.23 110.906 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.535 ' N ' HD12 ' A' ' 22' ' ' LEU . 65.4 t60 -63.13 -64.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.42 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -44.43 69.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 22' ' ' LEU . 46.2 mt -55.14 -62.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.23 111.133 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.67 66.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 64.5 111.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -65.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.43 110.952 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.47 44.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.863 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.48 163.39 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.877 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -38.88 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.23 110.905 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.63 176.05 25.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.754 . . . . 60.33 112.498 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.12 111.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 63.24 112.504 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -128.16 -179.96 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 52.42 110.86 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 m -132.87 134.38 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 42.23 110.866 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -129.2 131.19 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 38' ' ' VAL . 18.9 m-20 54.88 43.87 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 62.21 110.88 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.46 18.8 61.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 73.44 112.492 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 36' ' ' ASN . 43.3 t -120.96 147.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 63.24 111.132 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.71 124.99 27.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 64.34 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -136.46 105.22 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 62.11 111.118 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.11 134.76 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.873 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.845 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.854 0.359 . . . . 70.4 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 t -54.34 -42.85 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.918 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.31 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.093 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.8 pp -51.88 -32.59 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' LEU . 73.1 t60 -62.51 -63.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.809 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -46.96 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.911 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.42 -61.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.12 111.141 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.26 -30.05 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.082 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -70.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -159.65 45.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.57 179.4 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -118.3 -31.69 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.912 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.58 179.9 18.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 63.14 112.482 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.99 158.2 28.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 60.12 112.454 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -161.12 175.67 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 73.04 110.902 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 t -138.34 139.99 39.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 30.14 110.901 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -143.61 143.18 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m120 55.58 26.92 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.906 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.72 22.97 76.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.727 . . . . 42.13 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.39 139.91 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 65.23 111.135 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.47 138.09 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.89 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -143.9 129.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.33 111.113 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -85.19 147.81 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.893 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 61.12 111.058 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.0 t -57.31 -41.93 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 62.22 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -69.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.11 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.89 -30.74 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.63 -62.69 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.01 110.789 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -43.53 70.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.902 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.47 HG23 ' HA ' ' A' ' 30' ' ' LYS . 61.9 mt -60.39 -68.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 70.14 111.073 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.16 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 52.32 111.135 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.58 -71.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.874 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -158.96 49.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -151.47 -177.7 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.1 mmpt? -134.06 -41.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.892 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.6 178.36 22.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.489 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.59 145.13 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 43.01 112.446 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -155.8 178.5 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 74.14 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 m -133.21 138.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 44.31 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -133.85 127.78 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m120 53.51 39.6 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.943 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.68 72.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 43.23 112.506 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.2 t -122.26 138.2 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 73.15 111.126 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.13 129.32 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.42 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 38' ' ' VAL . 47.0 t -133.1 126.41 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.32 111.082 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 m -87.2 153.11 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.45 110.87 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.85 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.76 0.314 . . . . 65.44 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -57.18 -41.27 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -69.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 54.4 111.105 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.1 pp -51.97 -34.97 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' LEU . 54.5 t60 -62.86 -64.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 60.22 110.856 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -42.69 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 60.51 110.874 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.1 mt -60.03 -68.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 72.2 111.136 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.1 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.131 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.68 -74.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -156.09 46.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 178.45 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.889 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -39.98 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 55.22 110.89 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.07 176.84 17.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 75.33 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.84 150.07 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 64.11 112.506 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -157.43 179.99 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 73.35 110.825 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -131.15 133.81 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.12 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -120.73 118.85 31.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.964 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.38 36.42 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.853 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.44 20.26 77.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 72.43 112.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 40' ' ' VAL . 85.3 t -119.34 126.87 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 72.53 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.17 124.33 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 33.32 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 38' ' ' VAL . 61.1 t -131.79 134.7 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 64.2 111.092 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -94.8 154.87 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.52 110.863 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.899 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.58 ' HA ' HD21 ' A' ' 22' ' ' LEU . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 64.23 111.087 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 m -58.49 -32.53 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -70.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 41.35 111.083 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -57.23 -33.14 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.941 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.69 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.864 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -44.56 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 52.23 110.862 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.88 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.13 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.98 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 52.22 111.081 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -69.41 -74.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -154.48 47.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 53.41 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -150.08 178.66 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -123.15 -35.65 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.15 110.893 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.24 153.58 17.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 72.02 112.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.88 148.18 19.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 54.31 112.488 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -161.51 179.89 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 42.4 110.876 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.6 t -127.97 118.94 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 63.54 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -112.33 131.48 55.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.864 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.8 m120 52.23 42.27 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.75 24.68 68.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 72.5 112.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 36' ' ' ASN . 40.6 t -128.22 145.69 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 75.54 111.12 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.13 119.23 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.83 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.136 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.12 146.39 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 42.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.858 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.347 . . . . 73.54 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 t -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -67.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 74.25 111.127 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.75 -31.29 26.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 63.01 110.869 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.549 ' O ' HD13 ' A' ' 27' ' ' LEU . 83.7 t60 -64.01 -67.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.866 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -46.47 63.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.904 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -55.81 -66.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 52.34 111.155 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.94 27.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.15 111.133 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 23' ' ' HIS . 4.0 mp -66.58 -75.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.916 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -156.1 42.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 71.45 110.852 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 172.91 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -128.23 -38.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 61.24 110.911 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.0 31.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 72.32 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 117.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 54.45 112.534 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -138.9 179.99 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 71.3 110.875 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.99 135.03 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 65.03 110.909 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -139.31 140.88 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.911 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.88 25.3 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.888 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.3 3.6 88.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 61.53 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.64 148.39 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 70.35 111.136 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 p -74.27 141.02 45.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 62.52 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -148.03 123.02 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.05 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.93 140.46 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.842 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.05 110.91 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 71.44 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.6 -39.67 65.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -70.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 34.03 111.144 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.99 -30.65 26.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.41 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.504 ' N ' HD12 ' A' ' 22' ' ' LEU . 77.0 t60 -63.8 -62.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.529 HG23 ' HA ' ' A' ' 30' ' ' LYS . 62.8 mt -58.78 -67.47 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.34 111.175 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.03 -30.04 33.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 54.11 111.106 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.08 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.01 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -155.08 46.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.868 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -179.35 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.895 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HA ' HG23 ' A' ' 25' ' ' ILE . 16.7 mmtp -133.44 -40.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 65.41 110.861 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.07 165.15 14.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 62.43 112.475 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.22 140.2 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 52.12 112.478 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -146.06 -179.87 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 75.24 110.849 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 t -137.35 113.54 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.22 110.867 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -116.99 139.23 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 51.12 110.904 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 53.27 42.07 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.871 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.77 18.59 59.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.536 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.5 t -124.32 131.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 71.03 111.094 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.87 141.15 51.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.41 147.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 40.31 111.123 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 m -93.13 143.5 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.907 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 65.21 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.843 0.354 . . . . 64.4 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.76 -39.45 68.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 55.5 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -70.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 71.42 111.05 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.93 -32.1 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.932 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.71 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 65.54 110.88 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -43.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.71 -67.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.132 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.03 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 61.32 111.108 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.09 -71.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 52.04 110.937 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -158.88 49.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.846 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.2 178.43 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.909 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.899 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.03 168.45 12.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 64.12 112.51 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 140.65 6.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 40.5 112.481 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.6 p -156.62 179.98 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 52.22 110.856 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.9 t -119.87 136.16 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -133.45 135.97 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 60.52 110.934 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 53.86 36.87 25.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.862 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.94 21.61 73.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 43.02 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.17 132.45 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 73.12 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 m -61.06 135.56 57.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 62.5 110.855 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.66 139.54 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.3 111.16 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -89.78 152.36 21.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 60.35 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 72.11 110.893 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.852 0.358 . . . . 74.42 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 p -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.14 111.117 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -51.82 -29.95 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -63.73 -67.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.85 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -44.11 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.04 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.0 mt -56.41 -66.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 71.15 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.1 -32.08 45.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.061 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.1 -70.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 65.21 110.965 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -162.74 47.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.865 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.62 165.63 28.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.893 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 64.13 110.895 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.83 166.3 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 30.15 112.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.6 138.85 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 71.34 112.511 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -154.87 -179.88 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 73.11 110.839 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 p -140.86 132.9 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 72.11 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.888 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 53.37 41.07 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 60.21 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 18.13 73.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 63.32 112.472 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.33 129.89 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 74.22 111.128 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 m -72.82 119.11 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 40' ' ' VAL . 17.7 m -138.02 121.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 65.12 111.165 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -97.61 139.7 33.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.895 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.31 110.884 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.847 0.356 . . . . 64.01 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.65 -51.45 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 44.13 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -61.94 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 25.51 111.076 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 25' ' ' ILE . 15.4 mt -51.82 -37.86 53.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -60.07 -58.78 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.32 110.884 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -42.17 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 22' ' ' LEU . 38.3 mt -59.86 -69.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 60.54 111.129 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.24 -29.81 24.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.13 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.97 -76.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 52.31 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -152.43 47.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 64.21 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.82 -179.24 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HA ' HG23 ' A' ' 25' ' ' ILE . 44.0 mmtt -133.36 -45.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.894 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.09 176.6 31.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 41.43 112.437 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.99 132.81 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 34.52 112.512 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -150.79 179.84 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 54.41 110.859 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.7 t -140.38 135.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 64.1 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -139.85 144.44 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.52 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m120 55.93 26.56 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 63.02 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.01 80.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 70.23 112.462 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.49 141.84 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 60.24 111.086 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.7 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 64.33 110.9 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 40' ' ' VAL . 17.8 m -143.04 121.83 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.21 111.097 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.86 139.63 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 64.14 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.851 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 62.31 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.06 -35.37 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 65.34 110.929 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.02 -32.15 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.947 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' NE2' HD11 ' A' ' 27' ' ' LEU . 48.4 t60 -65.59 -68.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.45 110.892 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.05 -66.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.31 111.097 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.2 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.063 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.499 HD11 ' NE2' ' A' ' 23' ' ' HIS . 21.7 mt -67.63 -73.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 44.51 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 45.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 64.04 110.87 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.13 178.44 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.888 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -37.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 72.53 110.911 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.14 170.0 14.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 54.13 112.482 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.18 147.56 14.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 23.33 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -151.16 179.99 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 62.13 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -145.64 137.71 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.15 110.863 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -155.68 151.51 27.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.887 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 54.82 39.8 31.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.42 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.44 18.62 51.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 42.43 112.487 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.23 138.29 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 65.43 111.164 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -75.79 142.41 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.875 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.41 155.54 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 32.12 111.132 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -102.94 157.38 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.5 110.854 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 73.35 111.13 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 p -51.92 -40.89 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.862 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -62.2 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 62.53 111.12 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.619 ' HA ' HD12 ' A' ' 25' ' ' ILE . 8.8 mt -51.82 -40.27 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -58.62 -61.6 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.14 110.864 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -51.99 -46.34 64.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 22' ' ' LEU . 23.1 mt -53.29 -62.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 60.32 111.09 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.82 -30.48 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 54.03 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.95 -66.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.31 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -164.97 31.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.82 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -127.52 178.15 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -130.97 -44.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 74.54 110.85 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.32 167.46 15.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 70.41 112.481 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.14 134.7 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 64.22 112.516 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -149.43 155.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 40.11 110.878 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.4 t -116.73 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.835 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.644 ' CD ' HG21 ' A' ' 40' ' ' VAL . 7.1 pt20 -125.91 132.42 52.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 72.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 52.07 35.0 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 71.22 110.876 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.27 28.2 70.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 72.14 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -125.82 137.34 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 63.21 111.111 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.22 122.28 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 61.4 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.644 HG21 ' CD ' ' A' ' 35' ' ' GLN . 39.8 t -135.51 100.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.04 111.127 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.36 134.65 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.42 110.917 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.831 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 62.51 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.53 -41.57 81.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.875 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -70.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 65.43 111.101 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.0 pp -52.04 -30.88 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 64.24 110.891 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.436 ' N ' HD12 ' A' ' 22' ' ' LEU . 85.9 t60 -62.9 -62.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.02 110.866 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -43.23 77.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 54.02 110.896 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.75 -67.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 64.04 111.103 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.2 44.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 34.31 111.06 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -66.98 -72.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -158.87 47.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.876 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.84 176.07 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.6 -37.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.89 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 165.24 12.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 75.41 112.469 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.88 136.57 4.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 62.44 112.508 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -152.97 155.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 70.51 110.868 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.4 t -94.3 128.45 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.866 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.34 133.41 47.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.936 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.5 t30 53.65 45.96 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.881 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.71 19.57 49.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 70.34 112.461 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 40' ' ' VAL . 92.1 t -135.01 130.4 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 62.33 111.096 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.52 139.32 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.41 110.829 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 38' ' ' VAL . 43.0 t -139.37 136.27 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 73.04 111.145 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 m -88.8 145.74 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 51.42 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 71.03 110.881 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 73.01 111.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.75 -46.09 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 42.33 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.19 -67.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 43.21 111.123 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.0 pp -51.82 -35.42 44.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 62.41 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.552 ' N ' HD12 ' A' ' 22' ' ' LEU . 57.0 t60 -58.69 -63.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.861 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -55.81 -46.53 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.12 110.886 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 22' ' ' LEU . 29.1 mt -52.62 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.52 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.84 66.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 75.11 111.121 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.75 -65.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.929 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -167.21 32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -125.98 167.61 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 55.25 110.934 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.82 -45.81 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.864 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.1 169.86 16.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 63.43 112.456 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.52 146.68 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 71.33 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -159.49 -179.95 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 54.24 110.879 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 m -122.44 158.4 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 61.14 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.51 136.5 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 65.42 110.89 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.0 m-20 53.03 44.32 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.861 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.59 18.83 46.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.23 112.458 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 36' ' ' ASN . 99.5 t -128.97 140.83 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.1 111.139 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -74.25 140.09 44.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.22 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' VAL . 17.7 m -143.64 121.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 63.41 111.147 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.73 137.18 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.851 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 71.52 111.12 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.5 t -55.2 -43.01 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 65.01 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 65.12 111.17 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.1 pp -51.79 -33.81 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' N ' HD12 ' A' ' 22' ' ' LEU . 86.1 t60 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.859 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -51.05 59.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 45.43 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.419 HG23 ' HA ' ' A' ' 30' ' ' LYS . 66.8 mt -53.24 -65.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 71.05 111.15 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.34 -29.67 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.106 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.11 -75.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.919 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -152.76 33.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 63.15 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.38 -178.31 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 61.13 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HA ' HG23 ' A' ' 25' ' ' ILE . 42.6 mtmt -125.58 -38.59 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.905 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.84 -176.7 14.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 74.23 112.482 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.12 152.32 22.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 72.44 112.479 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -145.46 -179.98 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 53.14 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -129.08 130.72 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 72.3 110.887 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -146.94 140.66 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 m120 54.07 38.23 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.886 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.76 18.49 61.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 52.23 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 36' ' ' ASN . 38.3 t -121.66 147.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 75.23 111.159 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.2 106.98 17.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 53.45 110.878 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.07 138.42 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 54.53 111.125 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -97.66 132.29 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 61.32 110.845 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.837 0.351 . . . . 75.23 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.6 t -54.63 -35.55 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 45.24 110.871 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.32 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.87 -35.09 43.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.2 110.941 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.87 -58.67 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.885 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -49.64 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -54.7 -61.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.34 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.0 -30.04 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.52 111.147 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.64 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 42.14 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -163.18 33.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.892 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -132.68 -179.01 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 61.44 110.909 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -118.13 -46.47 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 72.21 110.861 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 178.5 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 41.4 112.516 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 159.96 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 43.11 112.512 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -160.1 180.0 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 70.25 110.861 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.2 m -138.62 146.74 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 64.31 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.46 130.1 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.899 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 38' ' ' VAL . 87.5 m-20 55.93 43.75 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.92 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.19 16.61 58.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 50.1 112.487 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 36' ' ' ASN . 61.7 t -118.64 134.9 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 65.43 111.122 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.86 117.52 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.54 110.865 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.93 125.58 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 60.53 111.161 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 m -86.75 143.73 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 71.53 110.848 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.877 0.37 . . . . 74.35 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.8 p -55.93 -39.14 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.01 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -70.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 55.34 111.052 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -52.01 -34.95 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.897 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -63.1 -60.01 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.868 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -43.81 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.856 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.464 HG23 ' HA ' ' A' ' 30' ' ' LYS . 40.1 mt -59.02 -68.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.105 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.99 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.04 111.102 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -69.69 -76.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.891 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -152.16 48.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 179.55 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.3 mmpt? -131.63 -54.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.891 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.11 -178.35 22.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 73.13 112.483 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.93 160.93 34.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 65.2 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 t -157.18 170.37 22.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.407 . . . . 73.11 110.833 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -108.52 136.93 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 74.01 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.73 109.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 52.43 110.915 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 53.42 28.48 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.01 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.91 18.25 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.471 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.35 131.56 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.33 111.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.6 t -76.43 105.75 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 35.41 110.835 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.87 122.25 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.23 111.085 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.86 159.82 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 65.25 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.871 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 73.45 111.09 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -55.89 -49.89 72.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.906 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.42 -61.46 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.45 111.097 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.44 -37.82 57.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -59.96 -61.49 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.842 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.24 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.44 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.53 -63.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.14 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -29.93 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.32 111.138 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -71.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 53.31 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.02 32.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -130.43 -179.81 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.86 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -128.84 -39.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.904 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.79 165.46 12.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 52.54 112.509 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.78 151.33 22.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 44.11 112.483 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -160.78 -179.98 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 70.24 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.21 159.73 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -172.74 141.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 38' ' ' VAL . 21.0 m120 53.2 41.89 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.11 110.942 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 18.54 46.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 74.45 112.458 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 36' ' ' ASN . 57.6 t -130.1 140.65 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.377 . . . . 51.55 111.132 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.0 p -74.33 130.57 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 73.44 110.834 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -123.88 150.71 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 71.4 111.094 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -101.47 156.58 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.3 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.23 110.827 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 54.14 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -54.53 -44.35 72.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.126 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.3 pp -51.71 -31.04 24.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.926 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' N ' HD12 ' A' ' 22' ' ' LEU . 86.3 t60 -63.22 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.851 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -41.93 76.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.624 HG23 ' HA ' ' A' ' 30' ' ' LYS . 39.8 mt -58.1 -66.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.53 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.86 60.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.14 111.091 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.42 -73.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.12 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -155.52 42.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 75.54 110.839 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.7 -169.88 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 64.54 110.93 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.1 mmpt? -136.82 -41.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.857 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.5 169.72 19.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 54.21 112.492 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.06 153.63 23.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 71.22 112.487 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -153.48 -179.65 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 75.12 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 t -104.84 116.52 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 64.35 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.69 126.01 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 70.13 110.943 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 55.56 26.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.35 110.912 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.03 23.17 57.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 64.44 112.496 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.4 t -135.53 134.84 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 74.32 111.153 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 t -65.1 105.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.25 138.62 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.52 111.141 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.4 m -92.61 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.85 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.918 0.389 . . . . 74.44 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.1 p -126.4 -37.52 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 65.04 111.156 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t -93.05 43.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -105.01 98.61 8.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.889 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.12 -30.64 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 63.2 111.132 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.04 146.36 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 62.23 110.928 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 t -132.95 159.13 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 72.14 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -139.22 171.68 13.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.925 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -76.24 90.11 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.871 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.94 73.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 62.2 111.084 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -87.09 94.92 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 70.13 110.946 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' ILE . . . 87.82 25.92 30.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 44.34 112.455 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 12' ' ' GLY . 28.8 mm -124.52 138.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 74.04 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.04 111.85 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.11 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.71 144.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 63.25 111.157 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.2 127.87 31.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -146.57 157.93 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -65.13 93.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.01 110.868 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.15 -40.39 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 43.13 111.093 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -54.62 -39.1 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.32 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -69.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.88 -30.39 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.495 ' N ' HD12 ' A' ' 22' ' ' LEU . 66.2 t60 -63.44 -63.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.886 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -42.18 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.656 HG23 ' HA ' ' A' ' 30' ' ' LYS . 47.4 mt -58.78 -67.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 64.03 111.151 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.86 37.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.33 111.08 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.89 -75.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 54.43 110.924 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -152.11 47.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -153.13 -174.64 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.925 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.656 ' HA ' HG23 ' A' ' 25' ' ' ILE . 23.3 mtmt -136.34 -41.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.906 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 173.44 17.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 33.34 112.526 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.17 152.52 24.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 65.32 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 t -156.97 165.96 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 74.05 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.93 153.5 47.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.55 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -146.55 113.95 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 70.23 110.942 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.96 44.15 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.901 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.4 18.78 78.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 60.5 112.471 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.7 132.93 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 60.14 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.3 t -71.28 126.51 29.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 74.22 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.21 125.12 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.02 111.089 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.2 m -88.19 147.4 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 71.32 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -150.18 169.06 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.04 110.914 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -89.77 -44.55 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.88 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.937 0.398 . . . . 72.42 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -131.18 168.69 17.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 64.3 111.119 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t 57.29 40.99 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.894 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -93.57 -25.65 17.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.79 56.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.03 111.138 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.26 135.31 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.958 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.3 p -163.85 144.32 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.875 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -82.24 -26.99 32.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.31 106.01 12.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.5 63.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 62.12 111.106 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -124.71 26.08 7.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.32 110.935 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.68 -21.31 5.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 73.11 112.503 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.8 mp -82.65 -28.26 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 62.32 111.187 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . . . -79.69 166.61 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 60.21 111.109 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.13 149.06 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 70.51 111.129 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 59.03 46.14 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.889 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 14' ' ' ALA . 42.9 m80 -52.23 156.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.84 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.28 110.25 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.893 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -36.84 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 74.23 111.076 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.33 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 64.54 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.15 -69.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 62.04 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.3 pp -51.65 -30.7 22.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 75.23 110.906 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.535 ' N ' HD12 ' A' ' 22' ' ' LEU . 65.4 t60 -63.13 -64.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.42 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -44.43 69.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 22' ' ' LEU . 46.2 mt -55.14 -62.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.23 111.133 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.67 66.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 64.5 111.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -65.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.43 110.952 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.47 44.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.863 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.48 163.39 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.877 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -38.88 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.23 110.905 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.63 176.05 25.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.754 . . . . 60.33 112.498 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.12 111.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 63.24 112.504 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -128.16 -179.96 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 52.42 110.86 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 m -132.87 134.38 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 42.23 110.866 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -129.2 131.19 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 38' ' ' VAL . 18.9 m-20 54.88 43.87 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 62.21 110.88 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.46 18.8 61.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 73.44 112.492 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 36' ' ' ASN . 43.3 t -120.96 147.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 63.24 111.132 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.71 124.99 27.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 64.34 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -136.46 105.22 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 62.11 111.118 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.11 134.76 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.873 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -131.49 172.13 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.845 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -68.52 -28.24 66.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.9 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 31.52 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.886 0.374 . . . . 63.33 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -59.53 -67.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.11 111.166 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.592 ' HB3' HG22 ' A' ' 5' ' ' VAL . 1.9 t -76.17 -22.58 55.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 61.44 110.9 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.76 26.45 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 53.02 110.853 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 3' ' ' CYS . 29.7 m -97.9 42.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 70.04 111.155 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.8 26.24 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.908 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.2 p -170.97 159.31 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 24.44 110.884 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.68 -28.24 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 73.52 110.836 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.94 61.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.05 110.843 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HA ' HD11 ' A' ' 13' ' ' ILE . . . -158.15 106.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 60.15 111.124 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.78 91.85 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 75.04 110.927 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.8 89.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 34.52 112.465 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 10' ' ' ALA . 2.7 mp -131.94 -72.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 63.34 111.103 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.58 153.69 22.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 70.35 111.108 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.0 t -84.53 -25.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 74.2 111.163 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -88.69 50.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 64.41 110.878 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.418 ' NE2' HD23 ' A' ' 22' ' ' LEU . 53.6 p-80 -70.4 -173.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.54 110.835 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -52.69 121.09 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.845 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.89 -30.47 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 70.4 111.133 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 t -54.34 -42.85 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.918 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.31 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.093 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.8 pp -51.88 -32.59 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' LEU . 73.1 t60 -62.51 -63.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.809 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -46.96 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.911 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.42 -61.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.12 111.141 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.26 -30.05 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.082 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -70.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -159.65 45.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.54 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.57 179.4 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -118.3 -31.69 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.912 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.58 179.9 18.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 63.14 112.482 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.99 158.2 28.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 60.12 112.454 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -161.12 175.67 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 73.04 110.902 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 t -138.34 139.99 39.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 30.14 110.901 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -143.61 143.18 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m120 55.58 26.92 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.906 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.72 22.97 76.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.727 . . . . 42.13 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.39 139.91 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 65.23 111.135 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.47 138.09 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.89 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -143.9 129.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.33 111.113 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -85.19 147.81 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -150.82 174.34 13.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -137.54 136.01 37.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.01 110.91 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 2.33 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.936 0.398 . . . . 62.12 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.51 162.42 36.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HB3' HD21 ' A' ' 6' ' ' LEU . 20.3 m -82.12 57.7 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 62.03 110.844 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -104.5 -42.49 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.32 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.65 48.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 62.22 111.17 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 3' ' ' CYS . 66.2 mt -52.53 135.41 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 64.44 110.966 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 p -167.47 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.842 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.13 128.08 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.31 110.875 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -162.49 131.2 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 61.05 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.56 143.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.34 111.129 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 63.95 19.99 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 55.12 110.939 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.43 59.93 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 45.43 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.3 mp -74.1 -25.25 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 75.43 111.141 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.55 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 52.2 111.094 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -162.5 142.81 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.113 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.17 -45.24 65.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.33 110.913 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -52.18 169.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 60.51 110.854 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t 63.17 54.26 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 70.04 110.882 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.37 72.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 61.12 111.058 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.0 t -57.31 -41.93 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 62.22 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -69.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.11 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.89 -30.74 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.63 -62.69 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.01 110.789 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -43.53 70.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.902 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG23 ' HA ' ' A' ' 30' ' ' LYS . 61.9 mt -60.39 -68.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 70.14 111.073 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.16 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 52.32 111.135 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.58 -71.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.874 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -158.96 49.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -151.47 -177.7 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.1 mmpt? -134.06 -41.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.892 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.6 178.36 22.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.489 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.59 145.13 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 43.01 112.446 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -155.8 178.5 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 74.14 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 m -133.21 138.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 44.31 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -133.85 127.78 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m120 53.51 39.6 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.943 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.68 72.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 43.23 112.506 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.2 t -122.26 138.2 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 73.15 111.126 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.13 129.32 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.42 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 38' ' ' VAL . 47.0 t -133.1 126.41 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.32 111.082 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 m -87.2 153.11 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.45 110.87 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.19 149.57 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -83.29 26.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 34.44 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 72.33 111.108 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -61.42 -44.29 97.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.135 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 48.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 52.24 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.17 113.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 54.54 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -81.12 57.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.04 111.173 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.578 HD13 ' HD2' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -107.47 156.08 19.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.962 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -97.08 119.72 36.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 53.41 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.578 ' HD2' HD13 ' A' ' 6' ' ' LEU . 8.6 m-85 -157.11 166.55 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 74.33 110.856 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -53.64 -34.11 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.88 43.15 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 44.25 111.095 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.587 ' HB2' HD11 ' A' ' 13' ' ' ILE . 1.5 mmmm -111.99 25.64 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.914 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.64 56.8 13.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 74.23 112.503 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.587 HD11 ' HB2' ' A' ' 11' ' ' LYS . 5.4 mp -99.41 -72.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 71.52 111.137 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.85 25.02 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 51.3 111.144 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -103.47 118.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 54.33 111.117 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -133.1 37.13 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 65.23 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -116.78 34.47 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.862 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 p -122.29 35.71 4.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 53.34 110.813 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.51 97.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 65.44 111.09 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -57.18 -41.27 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -69.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 54.4 111.105 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.1 pp -51.97 -34.97 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' LEU . 54.5 t60 -62.86 -64.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 60.22 110.856 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -42.69 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 60.51 110.874 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.1 mt -60.03 -68.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 72.2 111.136 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.1 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.131 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.68 -74.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -156.09 46.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 178.45 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.889 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -39.98 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 55.22 110.89 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.07 176.84 17.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 75.33 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.84 150.07 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 64.11 112.506 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -157.43 179.99 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 73.35 110.825 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -131.15 133.81 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.12 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -120.73 118.85 31.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.964 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.38 36.42 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.853 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.44 20.26 77.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 72.43 112.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 40' ' ' VAL . 85.3 t -119.34 126.87 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 72.53 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.17 124.33 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 33.32 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 38' ' ' VAL . 61.1 t -131.79 134.7 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 64.2 111.092 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -94.8 154.87 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.52 110.863 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -154.6 157.13 37.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -103.51 38.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.4 110.881 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 32.13 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.955 0.407 . . . . 50.34 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -130.53 162.56 28.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 74.5 111.129 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t 57.05 26.36 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 41.33 110.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.57 118.89 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.64 -25.81 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 74.22 111.166 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.2 mt -60.88 120.97 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 54.52 110.937 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -164.39 149.59 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.891 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.88 154.13 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 63.25 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.29 90.17 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 65.54 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.95 115.09 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.2 111.142 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -116.47 158.15 24.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.46 -19.85 5.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 65.53 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.16 -28.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 63.42 111.142 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.78 40.7 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 70.1 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.0 m -53.86 148.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 70.03 111.178 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -121.78 134.58 54.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.895 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -120.61 67.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -174.0 112.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 52.11 110.861 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.58 ' HA ' HD21 ' A' ' 22' ' ' LEU . . . -60.75 -31.59 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 64.23 111.087 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 m -58.49 -32.53 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.03 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -70.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 41.35 111.083 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -57.23 -33.14 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.941 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.69 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.864 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -44.56 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 52.23 110.862 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.88 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.13 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.98 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 52.22 111.081 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -69.41 -74.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -154.48 47.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 53.41 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -150.08 178.66 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -123.15 -35.65 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.15 110.893 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.24 153.58 17.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 72.02 112.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.88 148.18 19.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 54.31 112.488 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -161.51 179.89 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 42.4 110.876 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.6 t -127.97 118.94 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 63.54 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -112.33 131.48 55.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.864 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.8 m120 52.23 42.27 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.75 24.68 68.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 72.5 112.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 36' ' ' ASN . 40.6 t -128.22 145.69 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 75.54 111.12 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.13 119.23 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.83 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.136 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.12 146.39 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 42.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -142.18 177.63 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.858 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -106.44 163.47 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.53 110.921 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 31.14 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.9 0.381 . . . . 54.21 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.3 p -135.63 -179.05 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 52.34 111.188 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m 59.29 46.26 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 71.31 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.8 -39.06 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.872 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 m -62.05 -25.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 54.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.9 mt 56.43 39.19 30.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 73.43 110.885 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -63.45 143.95 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 65.2 110.82 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -74.19 -27.13 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 75.33 110.873 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.38 102.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 70.52 110.884 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.74 26.48 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.31 111.134 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -135.97 119.93 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.845 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.77 33.37 3.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 54.11 112.449 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 15' ' ' VAL . 4.5 mp -104.89 -27.47 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 62.15 111.108 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.3 41.25 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.53 111.101 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.525 HG23 HG22 ' A' ' 13' ' ' ILE . 69.9 t -135.49 136.43 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 62.31 111.11 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -117.94 77.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 72.13 110.904 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -120.18 37.32 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.828 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.37 93.48 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 70.11 110.848 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.44 57.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.54 111.075 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 t -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -67.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 74.25 111.127 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.75 -31.29 26.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 63.01 110.869 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.549 ' O ' HD13 ' A' ' 27' ' ' LEU . 83.7 t60 -64.01 -67.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.866 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -46.47 63.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.904 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -55.81 -66.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 52.34 111.155 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.94 27.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.15 111.133 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 23' ' ' HIS . 4.0 mp -66.58 -75.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.916 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -156.1 42.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 71.45 110.852 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 172.91 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -128.23 -38.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 61.24 110.911 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.0 31.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 72.32 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 117.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 54.45 112.534 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -138.9 179.99 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 71.3 110.875 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.99 135.03 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 65.03 110.909 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -139.31 140.88 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.911 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.88 25.3 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.888 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.3 3.6 88.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 61.53 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.64 148.39 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 70.35 111.136 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 p -74.27 141.02 45.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 62.52 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -148.03 123.02 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.05 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.93 140.46 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.842 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -124.94 147.23 48.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.05 110.91 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.54 -53.4 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.891 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 12.12 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.971 0.415 . . . . 75.33 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 158.77 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 64.33 111.167 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 5' ' ' VAL . 5.8 t -128.84 30.73 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.862 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t0 53.01 29.21 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 64.31 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 3' ' ' CYS . 82.6 t -73.95 80.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.22 111.101 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 pp -168.43 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.941 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -103.5 141.05 36.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 70.44 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -55.61 130.7 44.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.913 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -153.93 125.33 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.903 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 16.4 26.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.45 111.084 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -131.78 23.34 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.35 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.31 57.31 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 63.33 112.497 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.02 127.89 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 62.24 111.103 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.77 -174.67 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.22 111.102 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.92 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 54.22 111.152 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.15 120.3 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 65.45 110.939 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.695 ' CE1' ' HB2' ' A' ' 19' ' ' ALA . 19.4 p80 -171.55 156.05 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.854 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -78.73 65.87 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 44.11 110.85 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . . . -68.16 -37.53 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 71.44 111.1 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.6 -39.67 65.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -70.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 34.03 111.144 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.99 -30.65 26.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.41 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' N ' HD12 ' A' ' 22' ' ' LEU . 77.0 t60 -63.8 -62.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.529 HG23 ' HA ' ' A' ' 30' ' ' LYS . 62.8 mt -58.78 -67.47 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.34 111.175 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.03 -30.04 33.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 54.11 111.106 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.08 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.01 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -155.08 46.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.868 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -179.35 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.895 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HA ' HG23 ' A' ' 25' ' ' ILE . 16.7 mmtp -133.44 -40.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 65.41 110.861 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.07 165.15 14.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 62.43 112.475 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.22 140.2 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 52.12 112.478 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -146.06 -179.87 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 75.24 110.849 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 t -137.35 113.54 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.22 110.867 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -116.99 139.23 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 51.12 110.904 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 53.27 42.07 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.871 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.77 18.59 59.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.536 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.5 t -124.32 131.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 71.03 111.094 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.87 141.15 51.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.41 147.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 40.31 111.123 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 m -93.13 143.5 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.907 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.34 107.91 13.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 65.21 110.878 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -68.58 144.76 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 64.54 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 10.41 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.933 0.397 . . . . 65.3 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -123.71 167.98 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.44 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 m 58.72 35.97 24.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.03 26.21 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 70.21 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.81 66.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.09 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.17 26.0 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.961 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 m -104.53 167.42 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.867 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 10' ' ' ALA . 34.4 p90 -89.72 -176.1 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 42.34 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -70.72 83.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . . . -120.37 -8.4 9.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 62.15 111.148 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt 63.13 25.95 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.15 50.34 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 62.11 112.478 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.1 mm -73.46 143.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 72.21 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.71 170.64 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 62.22 111.11 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.61 -33.01 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 64.32 111.099 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -75.77 88.07 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -85.31 155.79 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.04 110.885 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -71.24 117.96 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 55.21 110.836 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.33 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 64.4 111.081 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.76 -39.45 68.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 55.5 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -70.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 71.42 111.05 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.93 -32.1 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.932 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.71 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 65.54 110.88 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -43.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.71 -67.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.132 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.03 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 61.32 111.108 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.09 -71.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 52.04 110.937 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -158.88 49.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.846 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.2 178.43 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.909 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.899 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.03 168.45 12.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 64.12 112.51 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 140.65 6.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 40.5 112.481 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.6 p -156.62 179.98 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 52.22 110.856 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.9 t -119.87 136.16 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -133.45 135.97 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 60.52 110.934 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 53.86 36.87 25.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.862 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.94 21.61 73.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 43.02 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.17 132.45 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 73.12 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 m -61.06 135.56 57.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 62.5 110.855 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.66 139.54 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.3 111.16 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -89.78 152.36 21.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 60.35 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -152.0 162.75 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 72.11 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -103.5 149.24 25.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.885 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 3.22 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.971 0.415 . . . . 73.23 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -137.5 173.94 11.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 64.04 111.146 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 t 63.09 34.47 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 51.41 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -67.78 -26.21 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 71.44 110.808 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.4 95.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -111.73 36.05 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 72.52 110.887 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -111.09 129.77 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -115.02 -27.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.864 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.7 -30.66 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 53.31 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.69 67.18 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.083 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -99.25 31.08 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.895 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 -19.57 9.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 63.3 112.527 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.428 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.8 mp -95.43 -21.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 73.31 111.13 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.02 43.25 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 74.53 111.096 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.56 -24.75 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 72.25 111.163 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -71.39 81.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.922 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -128.6 142.44 51.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.52 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 p -138.76 141.23 38.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.841 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.42 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 p -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.14 111.117 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -51.82 -29.95 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -63.73 -67.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.85 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -44.11 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.04 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.0 mt -56.41 -66.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 71.15 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.1 -32.08 45.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.061 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.1 -70.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 65.21 110.965 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -162.74 47.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.865 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.62 165.63 28.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.893 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 64.13 110.895 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.83 166.3 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 30.15 112.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.6 138.85 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 71.34 112.511 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -154.87 -179.88 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 73.11 110.839 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 p -140.86 132.9 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 72.11 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.888 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 53.37 41.07 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 60.21 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 18.13 73.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 63.32 112.472 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.33 129.89 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 74.22 111.128 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 m -72.82 119.11 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 40' ' ' VAL . 17.7 m -138.02 121.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 65.12 111.165 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -97.61 139.7 33.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.895 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -122.07 167.17 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.31 110.884 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.04 81.52 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 4.22 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.889 0.376 . . . . 52.3 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.7 p -91.72 169.54 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 72.23 111.157 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m 60.48 48.21 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 71.21 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.55 92.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.892 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 m -104.27 34.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.17 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.66 162.92 2.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.34 110.913 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.4 m -58.02 102.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.44 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -145.4 178.27 8.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 74.43 110.837 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -66.62 -74.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.21 144.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.42 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt 63.79 19.97 11.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 71.4 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 54.64 4.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 43.23 112.471 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 15' ' ' VAL . 34.9 mm -94.52 135.58 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 70.33 111.123 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.68 35.71 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.12 111.088 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.555 ' H ' HG22 ' A' ' 13' ' ' ILE . 21.9 t -137.95 140.45 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.077 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.83 26.21 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 62.02 110.879 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' H ' HG12 ' A' ' 15' ' ' VAL . 2.2 p80 -173.16 143.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.88 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 p -111.19 77.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 70.42 110.891 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.95 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 64.01 111.117 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.65 -51.45 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 44.13 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -61.94 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 25.51 111.076 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 25' ' ' ILE . 15.4 mt -51.82 -37.86 53.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -60.07 -58.78 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.32 110.884 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -42.17 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 22' ' ' LEU . 38.3 mt -59.86 -69.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 60.54 111.129 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.24 -29.81 24.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.13 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.97 -76.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 52.31 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -152.43 47.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 64.21 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.82 -179.24 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HA ' HG23 ' A' ' 25' ' ' ILE . 44.0 mmtt -133.36 -45.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.894 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.09 176.6 31.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 41.43 112.437 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.99 132.81 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 34.52 112.512 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -150.79 179.84 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 54.41 110.859 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.7 t -140.38 135.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 64.1 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -139.85 144.44 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.52 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m120 55.93 26.56 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 63.02 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.01 80.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 70.23 112.462 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.49 141.84 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 60.24 111.086 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.7 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 64.33 110.9 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 40' ' ' VAL . 17.8 m -143.04 121.83 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.21 111.097 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.86 139.63 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 64.14 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.12 172.83 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.851 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.97 150.45 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.31 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 70.2 111.086 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -90.98 168.13 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.33 111.147 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 m -86.31 54.47 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.863 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -66.11 90.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 54.22 110.876 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -116.82 -17.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 70.0 111.083 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 7' ' ' SER . 1.5 pp -51.65 168.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.896 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.648 ' O ' HD12 ' A' ' 6' ' ' LEU . 25.3 p -60.88 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 54.4 110.864 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 58.76 -177.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.11 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.32 89.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.97 83.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 61.41 111.095 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 59.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 62.04 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.65 60.47 8.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.722 . . . . 43.24 112.431 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 15' ' ' VAL . 47.6 mm -51.72 136.77 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 75.13 111.116 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.56 62.82 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.12 111.108 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 13' ' ' ILE . 39.1 t -146.33 148.27 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 71.15 111.148 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -60.56 97.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.34 110.858 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -135.56 49.59 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.32 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -95.31 71.36 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 64.55 110.832 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.84 -58.64 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 62.31 111.08 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.06 -35.37 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 65.34 110.929 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 18' ' ' SER . 1.7 pp -52.02 -32.15 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.947 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' NE2' HD11 ' A' ' 27' ' ' LEU . 48.4 t60 -65.59 -68.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.45 110.892 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.05 -66.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.31 111.097 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.2 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.063 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD11 ' NE2' ' A' ' 23' ' ' HIS . 21.7 mt -67.63 -73.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 44.51 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 45.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 64.04 110.87 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.13 178.44 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.888 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -37.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 72.53 110.911 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.14 170.0 14.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 54.13 112.482 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.18 147.56 14.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 23.33 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -151.16 179.99 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 62.13 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -145.64 137.71 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.15 110.863 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -155.68 151.51 27.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.887 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 54.82 39.8 31.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.42 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.44 18.62 51.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 42.43 112.487 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.23 138.29 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 65.43 111.164 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -75.79 142.41 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.875 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.41 155.54 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 32.12 111.132 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -102.94 157.38 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -157.1 155.84 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.5 110.854 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.58 -24.73 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.867 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.41 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.909 0.385 . . . . 72.41 111.135 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -95.98 -49.75 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 72.33 111.085 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.6 t -88.35 -22.65 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.899 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.27 102.04 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.917 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.1 t -116.8 71.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.32 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 mt -132.1 48.02 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 65.5 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -85.98 -25.55 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.835 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -153.58 165.19 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 65.3 110.905 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -97.72 25.39 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.72 -8.05 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 64.11 111.091 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.19 24.04 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 63.24 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.71 50.19 0.82 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 64.21 112.484 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.11 144.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 74.45 111.139 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 93.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.14 111.118 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 t -139.33 151.34 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.51 111.128 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.48 72.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 52.32 110.867 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -133.56 131.07 39.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.4 p -153.44 138.72 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.846 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.12 -43.2 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.35 111.13 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 p -51.92 -40.89 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.862 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -62.2 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 62.53 111.12 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.619 ' HA ' HD12 ' A' ' 25' ' ' ILE . 8.8 mt -51.82 -40.27 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -58.62 -61.6 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.14 110.864 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -51.99 -46.34 64.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 22' ' ' LEU . 23.1 mt -53.29 -62.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 60.32 111.09 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.82 -30.48 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 54.03 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.95 -66.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.31 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -164.97 31.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.82 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -127.52 178.15 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -130.97 -44.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 74.54 110.85 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.32 167.46 15.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 70.41 112.481 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.14 134.7 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 64.22 112.516 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -149.43 155.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 40.11 110.878 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.4 t -116.73 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.835 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.644 ' CD ' HG21 ' A' ' 40' ' ' VAL . 7.1 pt20 -125.91 132.42 52.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 72.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 52.07 35.0 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 71.22 110.876 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.27 28.2 70.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 72.14 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -125.82 137.34 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 63.21 111.111 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.22 122.28 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 61.4 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.644 HG21 ' CD ' ' A' ' 35' ' ' GLN . 39.8 t -135.51 100.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.04 111.127 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.36 134.65 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.42 110.917 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -116.69 158.38 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -80.86 32.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 61.31 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 34.15 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.97 0.414 . . . . 63.31 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -115.7 -32.67 5.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.4 111.13 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -100.08 39.75 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 51.52 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -112.14 -26.25 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 64.51 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.93 -25.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.114 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt 52.66 45.25 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 53.42 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -116.56 44.35 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.909 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -114.05 -27.39 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 75.14 110.85 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.17 82.11 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 61.55 110.892 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.51 113.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 70.43 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -104.54 35.56 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.79 -20.14 9.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 61.4 112.482 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.506 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.2 mp -88.15 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 75.4 111.151 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.81 33.22 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 54.53 111.093 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 HG22 ' A' ' 13' ' ' ILE . 22.0 t -137.81 149.54 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 64.4 111.119 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -97.5 126.58 42.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 73.43 110.899 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -110.8 42.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 64.2 110.838 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 p -131.85 86.6 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 60.22 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.38 87.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 62.51 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.53 -41.57 81.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.875 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -70.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 65.43 111.101 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.0 pp -52.04 -30.88 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 64.24 110.891 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.436 ' N ' HD12 ' A' ' 22' ' ' LEU . 85.9 t60 -62.9 -62.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.02 110.866 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -43.23 77.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 54.02 110.896 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.75 -67.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 64.04 111.103 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.2 44.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 34.31 111.06 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -66.98 -72.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.11 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -158.87 47.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.876 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.84 176.07 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.6 -37.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.89 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 165.24 12.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 75.41 112.469 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.88 136.57 4.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 62.44 112.508 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -152.97 155.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 70.51 110.868 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.4 t -94.3 128.45 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.866 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.34 133.41 47.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.936 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.5 t30 53.65 45.96 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.881 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.71 19.57 49.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 70.34 112.461 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 40' ' ' VAL . 92.1 t -135.01 130.4 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 62.33 111.096 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.52 139.32 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.41 110.829 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 38' ' ' VAL . 43.0 t -139.37 136.27 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 73.04 111.145 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 m -88.8 145.74 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 51.42 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -146.32 162.26 38.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 71.03 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -93.02 29.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 70.14 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.22 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.889 0.375 . . . . 64.02 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.0 m -132.26 -64.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 64.01 111.14 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.9 50.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.29 30.46 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.45 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.17 77.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 74.14 111.104 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.15 22.64 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.915 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.4 m -162.61 103.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.875 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -72.99 165.47 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -134.69 116.7 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 75.1 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.73 97.85 11.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 75.42 111.097 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -170.98 144.49 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 64.44 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.72 49.07 3.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.23 112.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -136.94 -41.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 63.44 111.158 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.31 177.57 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 61.45 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.82 150.1 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.05 111.133 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.7 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -104.75 30.25 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.32 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.8 80.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 55.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.8 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.01 111.129 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.75 -46.09 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 42.33 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.19 -67.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 43.21 111.123 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.0 pp -51.82 -35.42 44.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 62.41 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.552 ' N ' HD12 ' A' ' 22' ' ' LEU . 57.0 t60 -58.69 -63.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.861 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -55.81 -46.53 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.12 110.886 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 22' ' ' LEU . 29.1 mt -52.62 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.52 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.84 66.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 75.11 111.121 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.75 -65.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.929 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -167.21 32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -125.98 167.61 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 55.25 110.934 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.82 -45.81 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.864 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.1 169.86 16.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 63.43 112.456 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.52 146.68 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 71.33 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -159.49 -179.95 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 54.24 110.879 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 m -122.44 158.4 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 61.14 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.51 136.5 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 65.42 110.89 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.0 m-20 53.03 44.32 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.861 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.59 18.83 46.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.23 112.458 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 36' ' ' ASN . 99.5 t -128.97 140.83 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.1 111.139 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -74.25 140.09 44.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.22 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' VAL . 17.7 m -143.64 121.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 63.41 111.147 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.73 137.18 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -129.01 173.51 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -96.27 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.888 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 63.2 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.938 0.399 . . . . 74.45 111.155 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -126.31 -42.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 72.4 111.122 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.96 84.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 62.54 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -57.22 120.26 7.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.824 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.1 m -107.07 50.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.35 111.108 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 6' ' ' LEU . 18.6 mt -86.17 123.91 31.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 64.03 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -156.39 106.27 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 44.34 110.839 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 t80 63.18 28.25 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.9 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.21 120.62 15.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 61.11 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.72 55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 71.43 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -129.35 111.98 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 71.21 110.933 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.77 61.1 1.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 74.31 112.525 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.5 -28.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 73.52 111.133 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.58 73.36 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 72.45 111.111 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG12 ' ND1' ' A' ' 17' ' ' HIS . 21.7 t -116.51 -33.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.43 111.129 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 60.7 44.25 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' ND1' HG12 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -107.01 24.49 12.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 71.35 110.902 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 m -125.86 45.06 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 62.44 110.885 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.36 -44.71 72.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 71.52 111.12 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.5 t -55.2 -43.01 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 65.01 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 65.12 111.17 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.1 pp -51.79 -33.81 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' N ' HD12 ' A' ' 22' ' ' LEU . 86.1 t60 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.45 110.859 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -51.05 59.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 45.43 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.419 HG23 ' HA ' ' A' ' 30' ' ' LYS . 66.8 mt -53.24 -65.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 71.05 111.15 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.34 -29.67 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.106 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.11 -75.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.919 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -152.76 33.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 63.15 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.38 -178.31 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 61.13 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HA ' HG23 ' A' ' 25' ' ' ILE . 42.6 mtmt -125.58 -38.59 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.905 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.84 -176.7 14.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 74.23 112.482 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.12 152.32 22.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 72.44 112.479 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -145.46 -179.98 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 53.14 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -129.08 130.72 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 72.3 110.887 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -146.94 140.66 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 m120 54.07 38.23 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.886 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.76 18.49 61.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 52.23 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 36' ' ' ASN . 38.3 t -121.66 147.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 75.23 111.159 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.2 106.98 17.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 53.45 110.878 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.07 138.42 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 54.53 111.125 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -97.66 132.29 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -99.21 117.55 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 61.32 110.845 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -102.92 -35.56 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.42 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 12.44 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.898 0.38 . . . . 65.53 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -127.86 -56.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.5 111.156 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.45 49.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.902 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.14 -33.3 39.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 65.04 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 5' ' ' VAL . 2.6 p -60.13 97.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 62.41 111.132 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 pp -118.42 27.65 8.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 54.4 110.919 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.18 178.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 54.44 110.835 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -112.33 88.55 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 75.52 110.902 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -166.34 122.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 64.44 110.86 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.94 92.77 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.076 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 175.59 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.884 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.72 33.69 6.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 61.22 112.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.52 -36.61 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 50.22 111.17 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.68 155.03 39.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.41 111.068 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.88 148.06 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.106 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -155.5 120.88 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.931 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -108.63 77.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.04 110.869 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -109.47 103.72 12.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.843 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.98 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.23 111.163 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.6 t -54.63 -35.55 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 45.24 110.871 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.32 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.87 -35.09 43.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.2 110.941 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.87 -58.67 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.885 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -49.64 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -54.7 -61.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.34 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.0 -30.04 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.52 111.147 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.64 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 42.14 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -163.18 33.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.892 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -132.68 -179.01 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 61.44 110.909 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -118.13 -46.47 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 72.21 110.861 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 178.5 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 41.4 112.516 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 159.96 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 43.11 112.512 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -160.1 180.0 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 70.25 110.861 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.2 m -138.62 146.74 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 64.31 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.46 130.1 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.899 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 38' ' ' VAL . 87.5 m-20 55.93 43.75 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.92 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.19 16.61 58.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 50.1 112.487 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 36' ' ' ASN . 61.7 t -118.64 134.9 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 65.43 111.122 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.86 117.52 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.54 110.865 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.93 125.58 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 60.53 111.161 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 m -86.75 143.73 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 71.53 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -90.56 85.98 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.923 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 32.14 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 51.13 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 m -87.31 -27.91 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.53 111.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.481 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.6 t -97.32 34.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 72.12 110.9 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -58.21 -22.63 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.32 -9.76 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 72.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 3' ' ' CYS . 4.5 pp -51.59 152.4 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 70.14 110.926 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.9 m -145.74 -175.88 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.52 110.854 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -77.84 -74.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.2 -74.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.91 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.36 48.75 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.31 111.089 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -92.7 95.69 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.934 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.24 32.34 8.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 62.01 112.487 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.32 134.34 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 62.3 111.118 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.93 104.48 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.116 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 17' ' ' HIS . 21.8 t -123.99 135.29 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.31 111.149 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.82 27.32 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.889 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.406 ' H ' HG12 ' A' ' 15' ' ' VAL . 74.5 m-70 -95.23 48.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 41.42 110.866 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 p -160.2 102.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.63 -42.87 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.122 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.8 p -55.93 -39.14 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.01 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -70.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 55.34 111.052 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -52.01 -34.95 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.897 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -63.1 -60.01 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.868 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -43.81 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.856 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.464 HG23 ' HA ' ' A' ' 30' ' ' LYS . 40.1 mt -59.02 -68.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.105 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.99 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.04 111.102 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -69.69 -76.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.891 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -152.16 48.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 179.55 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.3 mmpt? -131.63 -54.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.891 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.11 -178.35 22.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 73.13 112.483 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.93 160.93 34.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 65.2 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 t -157.18 170.37 22.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.407 . . . . 73.11 110.833 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -108.52 136.93 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 74.01 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.73 109.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 52.43 110.915 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 53.42 28.48 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.01 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.91 18.25 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.23 112.471 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.35 131.56 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.33 111.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.6 t -76.43 105.75 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 35.41 110.835 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.87 122.25 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.23 111.085 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.86 159.82 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 65.25 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -153.27 161.57 42.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -91.68 -38.38 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 40.52 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.929 0.395 . . . . 72.35 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -130.74 -39.49 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 51.54 111.11 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.75 35.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.52 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.98 25.44 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.25 110.833 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 5' ' ' VAL . 6.6 p -105.72 23.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.31 111.16 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -56.99 173.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 62.54 110.944 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 p -73.7 82.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 54.34 110.875 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -167.43 138.24 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.13 110.844 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 56.68 27.86 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 72.34 110.898 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.83 78.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 55.13 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.56 91.23 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 61.54 110.891 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.92 -23.19 36.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 72.11 112.507 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 mm -80.04 148.04 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 73.41 111.14 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 128.91 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.162 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -81.07 164.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 64.43 111.156 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.88 88.85 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 62.15 110.907 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -65.13 153.29 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.816 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -91.51 122.84 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.44 110.84 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.51 -31.1 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 73.45 111.09 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -55.89 -49.89 72.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.906 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.42 -61.46 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.45 111.097 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.44 -37.82 57.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -59.96 -61.49 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.11 110.842 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.24 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.44 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.53 -63.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.14 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -29.93 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.32 111.138 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -71.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 53.31 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.02 32.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -130.43 -179.81 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.86 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -128.84 -39.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.904 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.79 165.46 12.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 52.54 112.509 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.78 151.33 22.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 44.11 112.483 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -160.78 -179.98 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 70.24 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.21 159.73 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -172.74 141.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 38' ' ' VAL . 21.0 m120 53.2 41.89 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.11 110.942 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 18.54 46.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 74.45 112.458 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 36' ' ' ASN . 57.6 t -130.1 140.65 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.377 . . . . 51.55 111.132 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.0 p -74.33 130.57 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 73.44 110.834 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -123.88 150.71 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 71.4 111.094 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -101.47 156.58 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.3 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -155.44 163.15 40.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.23 110.827 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -116.13 -27.56 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.881 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.23 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.902 0.382 . . . . 74.24 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -138.58 158.89 43.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.22 111.152 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -111.22 40.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 64.21 110.862 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -118.97 91.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.31 110.849 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.53 67.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.1 111.094 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -125.77 83.02 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.932 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 m -113.94 26.38 10.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 64.13 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -107.28 -28.8 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.841 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -77.22 61.98 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 60.13 110.853 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.88 67.59 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.086 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -131.18 53.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.84 23.1 43.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 63.24 112.503 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.41 143.62 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 70.31 111.151 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.97 83.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.2 111.096 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.56 135.76 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 75.4 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -131.13 66.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 55.51 110.898 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -126.2 26.02 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 65.22 110.851 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 p -125.26 27.71 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.881 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.02 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 54.14 111.104 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -54.53 -44.35 72.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.126 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.3 pp -51.71 -31.04 24.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.926 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' N ' HD12 ' A' ' 22' ' ' LEU . 86.3 t60 -63.22 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.851 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -41.93 76.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.624 HG23 ' HA ' ' A' ' 30' ' ' LYS . 39.8 mt -58.1 -66.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.53 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.86 60.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.14 111.091 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.42 -73.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.12 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -155.52 42.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 75.54 110.839 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.7 -169.88 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 64.54 110.93 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.1 mmpt? -136.82 -41.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.857 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.5 169.72 19.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 54.21 112.492 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.06 153.63 23.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 71.22 112.487 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -153.48 -179.65 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 75.12 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 t -104.84 116.52 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 64.35 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.69 126.01 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 70.13 110.943 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 55.56 26.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.35 110.912 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.03 23.17 57.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 64.44 112.496 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.4 t -135.53 134.84 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 74.32 111.153 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 t -65.1 105.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.25 138.62 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.52 111.141 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.4 m -92.61 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -137.63 146.44 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -89.8 76.15 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 51.43 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.849 0.357 . . . . 43.130000000000003 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -54.62 -39.1 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -69.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.88 -30.39 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.495 ' N ' HD12 ' A' ' 22' ' ' LEU . 66.2 t60 -63.44 -63.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 110.886 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -42.18 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.656 HG23 ' HA ' ' A' ' 30' ' ' LYS . 47.4 mt -58.78 -67.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 64.030000000000001 111.151 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.86 37.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.08 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.89 -75.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 54.43 110.924 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -152.11 47.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 75.239999999999995 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -153.13 -174.64 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 71.219999999999999 110.925 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.656 ' HA ' HG23 ' A' ' 25' ' ' ILE . 23.3 mtmt -136.34 -41.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.906 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 173.44 17.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 33.340000000000003 112.526 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.17 152.52 24.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 65.319999999999993 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 t -156.97 165.96 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 74.049999999999997 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.93 153.5 47.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.549999999999997 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -146.55 113.95 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 70.230000000000004 110.942 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.96 44.15 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.901 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.4 18.78 78.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 60.5 112.471 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.7 132.93 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 60.140000000000001 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.3 t -71.28 126.51 29.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.21 125.12 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.019999999999996 111.089 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.2 m -88.19 147.4 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 71.319999999999993 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.040000000000006 110.914 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.789 0.328 . . . . 74.230000000000004 111.076 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.33 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 64.540000000000006 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.15 -69.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 62.039999999999999 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.3 pp -51.65 -30.7 22.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 75.230000000000004 110.906 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.535 ' N ' HD12 ' A' ' 22' ' ' LEU . 65.4 t60 -63.13 -64.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -44.43 69.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 22' ' ' LEU . 46.2 mt -55.14 -62.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.230000000000004 111.133 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.67 66.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 64.5 111.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -65.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.430000000000007 110.952 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.47 44.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.150000000000006 110.863 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.48 163.39 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 110.877 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -38.88 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 110.905 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.63 176.05 25.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.754 . . . . 60.329999999999998 112.498 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.12 111.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 63.240000000000002 112.504 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -128.16 -179.96 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 52.420000000000002 110.86 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 m -132.87 134.38 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 42.229999999999997 110.866 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -129.2 131.19 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 38' ' ' VAL . 18.9 m-20 54.88 43.87 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 62.210000000000001 110.88 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.46 18.8 61.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 73.439999999999998 112.492 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 36' ' ' ASN . 43.3 t -120.96 147.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 63.240000000000002 111.132 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.71 124.99 27.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 64.340000000000003 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -136.46 105.22 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 62.109999999999999 111.118 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.11 134.76 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.873 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.845 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.854 0.359 . . . . 70.400000000000006 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 t -54.34 -42.85 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.918 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.31 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 111.093 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.8 pp -51.88 -32.59 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' LEU . 73.1 t60 -62.51 -63.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.439999999999998 110.809 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -46.96 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.911 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.42 -61.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 111.141 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.26 -30.05 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 111.082 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -70.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.329999999999998 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -159.65 45.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.540000000000006 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.57 179.4 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.510000000000005 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -118.3 -31.69 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.439999999999998 110.912 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.58 179.9 18.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 63.140000000000001 112.482 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.99 158.2 28.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 60.119999999999997 112.454 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -161.12 175.67 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 73.040000000000006 110.902 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 t -138.34 139.99 39.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 30.140000000000001 110.901 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -143.61 143.18 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.120000000000005 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m120 55.58 26.92 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.906 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.72 22.97 76.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.727 . . . . 42.130000000000003 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.39 139.91 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 65.230000000000004 111.135 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.47 138.09 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 64.310000000000002 110.89 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -143.9 129.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.329999999999998 111.113 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -85.19 147.81 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 64.349999999999994 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 61.119999999999997 111.058 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.0 t -57.31 -41.93 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 62.219999999999999 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -69.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.89 -30.74 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 74.530000000000001 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.63 -62.69 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.009999999999998 110.789 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -43.53 70.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 73.239999999999995 110.902 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.47 HG23 ' HA ' ' A' ' 30' ' ' LYS . 61.9 mt -60.39 -68.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 70.140000000000001 111.073 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.16 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 52.32 111.135 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.58 -71.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.874 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -158.96 49.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -151.47 -177.7 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.1 mmpt? -134.06 -41.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 110.892 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.6 178.36 22.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.489 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.59 145.13 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 43.009999999999998 112.446 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -155.8 178.5 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 74.140000000000001 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 m -133.21 138.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 44.310000000000002 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -133.85 127.78 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m120 53.51 39.6 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.943 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.68 72.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 43.229999999999997 112.506 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.2 t -122.26 138.2 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 73.150000000000006 111.126 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.13 129.32 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.420000000000002 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 38' ' ' VAL . 47.0 t -133.1 126.41 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.082 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 m -87.2 153.11 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.450000000000003 110.87 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.85 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.76 0.314 . . . . 65.439999999999998 111.09 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -57.18 -41.27 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -69.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 54.399999999999999 111.105 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.1 pp -51.97 -34.97 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.099999999999994 110.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' LEU . 54.5 t60 -62.86 -64.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 60.219999999999999 110.856 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -42.69 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 60.509999999999998 110.874 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.1 mt -60.03 -68.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 72.200000000000003 111.136 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.1 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.131 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.68 -74.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -156.09 46.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 178.45 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.889 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -39.98 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 55.219999999999999 110.89 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.07 176.84 17.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 75.329999999999998 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.84 150.07 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 64.109999999999999 112.506 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -157.43 179.99 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 73.349999999999994 110.825 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -131.15 133.81 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.119999999999997 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -120.73 118.85 31.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.219999999999999 110.964 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.38 36.42 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.853 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.44 20.26 77.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 72.430000000000007 112.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 40' ' ' VAL . 85.3 t -119.34 126.87 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 72.530000000000001 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.17 124.33 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 33.32 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 38' ' ' VAL . 61.1 t -131.79 134.7 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 64.200000000000003 111.092 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -94.8 154.87 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.519999999999996 110.863 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.140000000000001 110.899 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.58 ' HA ' HD21 ' A' ' 22' ' ' LEU . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 64.230000000000004 111.087 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 m -58.49 -32.53 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.030000000000001 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -70.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 41.350000000000001 111.083 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -57.23 -33.14 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 110.941 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.69 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 110.864 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -44.56 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 52.229999999999997 110.862 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.88 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 111.13 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.98 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 52.219999999999999 111.081 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -69.41 -74.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -154.48 47.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 53.409999999999997 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -150.08 178.66 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -123.15 -35.65 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.150000000000006 110.893 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.24 153.58 17.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 72.019999999999996 112.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.88 148.18 19.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 54.310000000000002 112.488 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -161.51 179.89 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 42.399999999999999 110.876 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.6 t -127.97 118.94 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 63.539999999999999 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -112.33 131.48 55.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.864 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.8 m120 52.23 42.27 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.75 24.68 68.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 72.5 112.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 36' ' ' ASN . 40.6 t -128.22 145.69 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 75.540000000000006 111.12 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.13 119.23 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.83 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 111.136 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.12 146.39 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 42.210000000000001 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.858 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.347 . . . . 73.540000000000006 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 t -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -67.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 74.25 111.127 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.75 -31.29 26.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 63.009999999999998 110.869 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.549 ' O ' HD13 ' A' ' 27' ' ' LEU . 83.7 t60 -64.01 -67.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.510000000000005 110.866 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -46.47 63.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.904 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -55.81 -66.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 52.340000000000003 111.155 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.94 27.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.150000000000006 111.133 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 23' ' ' HIS . 4.0 mp -66.58 -75.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 110.916 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -156.1 42.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 71.450000000000003 110.852 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 172.91 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -128.23 -38.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 61.240000000000002 110.911 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.0 31.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 72.319999999999993 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 117.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 54.450000000000003 112.534 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -138.9 179.99 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 71.299999999999997 110.875 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.99 135.03 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 65.030000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -139.31 140.88 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.911 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.88 25.3 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.888 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.3 3.6 88.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 61.530000000000001 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.64 148.39 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 70.349999999999994 111.136 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 p -74.27 141.02 45.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 62.520000000000003 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -148.03 123.02 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.049999999999997 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.93 140.46 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.842 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.049999999999997 110.91 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 71.439999999999998 111.1 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.6 -39.67 65.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.340000000000003 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -70.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 34.030000000000001 111.144 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.99 -30.65 26.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.409999999999997 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.504 ' N ' HD12 ' A' ' 22' ' ' LEU . 77.0 t60 -63.8 -62.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.529 HG23 ' HA ' ' A' ' 30' ' ' LYS . 62.8 mt -58.78 -67.47 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 111.175 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.03 -30.04 33.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 54.109999999999999 111.106 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.08 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -155.08 46.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.010000000000005 110.868 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -179.35 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.895 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HA ' HG23 ' A' ' 25' ' ' ILE . 16.7 mmtp -133.44 -40.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 65.409999999999997 110.861 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.07 165.15 14.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 62.43 112.475 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.22 140.2 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 52.119999999999997 112.478 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -146.06 -179.87 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 75.239999999999995 110.849 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 t -137.35 113.54 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.219999999999999 110.867 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -116.99 139.23 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 51.119999999999997 110.904 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 53.27 42.07 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.871 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.77 18.59 59.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 75.319999999999993 112.536 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.5 t -124.32 131.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 71.030000000000001 111.094 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.87 141.15 51.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.439999999999998 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.41 147.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 40.310000000000002 111.123 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 m -93.13 143.5 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.907 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 65.209999999999994 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.843 0.354 . . . . 64.400000000000006 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.76 -39.45 68.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 55.5 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -70.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 71.420000000000002 111.05 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.93 -32.1 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 110.932 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.71 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 65.540000000000006 110.88 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -43.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.71 -67.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.132 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.03 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 61.32 111.108 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.09 -71.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 52.039999999999999 110.937 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -158.88 49.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 75.349999999999994 110.846 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.2 178.43 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.909 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 73.420000000000002 110.899 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.03 168.45 12.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 64.120000000000005 112.51 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 140.65 6.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 40.5 112.481 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.6 p -156.62 179.98 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 52.219999999999999 110.856 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.9 t -119.87 136.16 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -133.45 135.97 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 60.520000000000003 110.934 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 53.86 36.87 25.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.862 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.94 21.61 73.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 43.020000000000003 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.17 132.45 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 73.120000000000005 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 m -61.06 135.56 57.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 62.5 110.855 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.66 139.54 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.299999999999997 111.16 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -89.78 152.36 21.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 60.350000000000001 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 72.109999999999999 110.893 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.852 0.358 . . . . 74.420000000000002 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 p -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 111.117 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -51.82 -29.95 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.340000000000003 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -63.73 -67.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 63.140000000000001 110.85 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -44.11 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.040000000000006 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.0 mt -56.41 -66.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 71.150000000000006 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.1 -32.08 45.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 111.061 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.1 -70.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 65.209999999999994 110.965 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -162.74 47.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.865 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.62 165.63 28.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.893 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 64.129999999999995 110.895 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.83 166.3 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 30.149999999999999 112.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.6 138.85 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 71.340000000000003 112.511 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -154.87 -179.88 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 73.109999999999999 110.839 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 p -140.86 132.9 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 72.109999999999999 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 72.019999999999996 110.888 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 53.37 41.07 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 60.210000000000001 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 18.13 73.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 63.32 112.472 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.33 129.89 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 74.219999999999999 111.128 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 m -72.82 119.11 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 40' ' ' VAL . 17.7 m -138.02 121.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 65.120000000000005 111.165 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -97.61 139.7 33.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.310000000000002 110.884 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.847 0.356 . . . . 64.010000000000005 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.65 -51.45 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 44.130000000000003 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -61.94 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 25.510000000000002 111.076 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 25' ' ' ILE . 15.4 mt -51.82 -37.86 53.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -60.07 -58.78 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.319999999999993 110.884 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -42.17 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 22' ' ' LEU . 38.3 mt -59.86 -69.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 60.539999999999999 111.129 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.24 -29.81 24.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.97 -76.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 52.310000000000002 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -152.43 47.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 64.209999999999994 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.82 -179.24 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HA ' HG23 ' A' ' 25' ' ' ILE . 44.0 mmtt -133.36 -45.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.894 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.09 176.6 31.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 41.43 112.437 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.99 132.81 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 34.520000000000003 112.512 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -150.79 179.84 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 54.409999999999997 110.859 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.7 t -140.38 135.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 64.099999999999994 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -139.85 144.44 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m120 55.93 26.56 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 63.020000000000003 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.01 80.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 70.230000000000004 112.462 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.49 141.84 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 60.240000000000002 111.086 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.7 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 64.329999999999998 110.9 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 40' ' ' VAL . 17.8 m -143.04 121.83 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.209999999999994 111.097 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.86 139.63 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 64.140000000000001 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.519999999999996 110.851 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 62.310000000000002 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.06 -35.37 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 65.340000000000003 110.929 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 pp -52.02 -32.15 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.947 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' NE2' HD11 ' A' ' 27' ' ' LEU . 48.4 t60 -65.59 -68.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 110.892 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.05 -66.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.310000000000002 111.097 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.2 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.063 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.499 HD11 ' NE2' ' A' ' 23' ' ' HIS . 21.7 mt -67.63 -73.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 44.509999999999998 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 45.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 64.040000000000006 110.87 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.13 178.44 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 110.888 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -37.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 72.530000000000001 110.911 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.14 170.0 14.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 54.130000000000003 112.482 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.18 147.56 14.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 23.329999999999998 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -151.16 179.99 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 62.130000000000003 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -145.64 137.71 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.150000000000006 110.863 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -155.68 151.51 27.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.887 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 54.82 39.8 31.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.420000000000002 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.44 18.62 51.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 42.43 112.487 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.23 138.29 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 65.430000000000007 111.164 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -75.79 142.41 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.349999999999994 110.875 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.41 155.54 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 32.119999999999997 111.132 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -102.94 157.38 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.340000000000003 110.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.5 110.854 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 73.349999999999994 111.13 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 p -51.92 -40.89 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.862 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -62.2 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 62.530000000000001 111.12 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.619 ' HA ' HD12 ' A' ' 25' ' ' ILE . 8.8 mt -51.82 -40.27 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -58.62 -61.6 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.140000000000001 110.864 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -51.99 -46.34 64.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 22' ' ' LEU . 23.1 mt -53.29 -62.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 60.32 111.09 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.82 -30.48 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 54.030000000000001 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.95 -66.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.310000000000002 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -164.97 31.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.420000000000002 110.82 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -127.52 178.15 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -130.97 -44.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 74.540000000000006 110.85 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.32 167.46 15.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 70.409999999999997 112.481 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.14 134.7 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 64.219999999999999 112.516 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -149.43 155.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 40.109999999999999 110.878 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.4 t -116.73 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 65.409999999999997 110.835 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.644 ' CD ' HG21 ' A' ' 40' ' ' VAL . 7.1 pt20 -125.91 132.42 52.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 72.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 52.07 35.0 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 71.219999999999999 110.876 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.27 28.2 70.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 72.140000000000001 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -125.82 137.34 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 63.210000000000001 111.111 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.22 122.28 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 61.399999999999999 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.644 HG21 ' CD ' ' A' ' 35' ' ' GLN . 39.8 t -135.51 100.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.040000000000006 111.127 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.36 134.65 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.420000000000002 110.917 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.831 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 62.509999999999998 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.53 -41.57 81.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.530000000000001 110.875 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -70.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 65.430000000000007 111.101 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.0 pp -52.04 -30.88 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 64.239999999999995 110.891 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.436 ' N ' HD12 ' A' ' 22' ' ' LEU . 85.9 t60 -62.9 -62.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 110.866 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -43.23 77.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 54.020000000000003 110.896 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.75 -67.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 64.040000000000006 111.103 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.2 44.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 34.310000000000002 111.06 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -66.98 -72.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -158.87 47.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.876 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.84 176.07 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.6 -37.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.89 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 165.24 12.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 75.409999999999997 112.469 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.88 136.57 4.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 62.439999999999998 112.508 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -152.97 155.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 70.510000000000005 110.868 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.4 t -94.3 128.45 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 72.219999999999999 110.866 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.34 133.41 47.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.019999999999996 110.936 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.5 t30 53.65 45.96 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 110.881 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.71 19.57 49.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 70.340000000000003 112.461 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 40' ' ' VAL . 92.1 t -135.01 130.4 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 62.329999999999998 111.096 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.52 139.32 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.409999999999997 110.829 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 38' ' ' VAL . 43.0 t -139.37 136.27 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 73.040000000000006 111.145 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 m -88.8 145.74 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 51.420000000000002 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 71.030000000000001 110.881 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 73.010000000000005 111.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.75 -46.09 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 42.329999999999998 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.19 -67.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 43.210000000000001 111.123 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.0 pp -51.82 -35.42 44.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 62.409999999999997 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.552 ' N ' HD12 ' A' ' 22' ' ' LEU . 57.0 t60 -58.69 -63.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.861 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -55.81 -46.53 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.120000000000005 110.886 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 22' ' ' LEU . 29.1 mt -52.62 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.84 66.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 111.121 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.75 -65.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 110.929 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -167.21 32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -125.98 167.61 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 55.25 110.934 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.82 -45.81 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.540000000000006 110.864 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.1 169.86 16.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 63.43 112.456 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.52 146.68 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 71.329999999999998 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -159.49 -179.95 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 54.240000000000002 110.879 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 m -122.44 158.4 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 61.140000000000001 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.51 136.5 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 65.420000000000002 110.89 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.0 m-20 53.03 44.32 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 65.340000000000003 110.861 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.59 18.83 46.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.229999999999997 112.458 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 36' ' ' ASN . 99.5 t -128.97 140.83 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.099999999999994 111.139 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -74.25 140.09 44.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.219999999999999 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' VAL . 17.7 m -143.64 121.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 63.409999999999997 111.147 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.73 137.18 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.519999999999996 110.851 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.83 0.348 . . . . 71.519999999999996 111.12 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.5 t -55.2 -43.01 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 65.010000000000005 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 65.120000000000005 111.17 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.1 pp -51.79 -33.81 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 65.129999999999995 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' N ' HD12 ' A' ' 22' ' ' LEU . 86.1 t60 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.450000000000003 110.859 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -51.05 59.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 45.43 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.419 HG23 ' HA ' ' A' ' 30' ' ' LYS . 66.8 mt -53.24 -65.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 71.049999999999997 111.15 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.34 -29.67 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.106 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.11 -75.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 64.329999999999998 110.919 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -152.76 33.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 63.149999999999999 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.38 -178.31 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 61.130000000000003 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HA ' HG23 ' A' ' 25' ' ' ILE . 42.6 mtmt -125.58 -38.59 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.905 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.84 -176.7 14.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 74.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.12 152.32 22.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 72.439999999999998 112.479 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -145.46 -179.98 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 53.140000000000001 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -129.08 130.72 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 72.299999999999997 110.887 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -146.94 140.66 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 m120 54.07 38.23 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.886 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.76 18.49 61.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 52.229999999999997 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 36' ' ' ASN . 38.3 t -121.66 147.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 75.230000000000004 111.159 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.2 106.98 17.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 53.450000000000003 110.878 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.07 138.42 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 54.530000000000001 111.125 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -97.66 132.29 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 61.32 110.845 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.837 0.351 . . . . 75.230000000000004 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.6 t -54.63 -35.55 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 45.240000000000002 110.871 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.319999999999993 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.87 -35.09 43.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.200000000000003 110.941 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.87 -58.67 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 110.885 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -49.64 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.409999999999997 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -54.7 -61.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.0 -30.04 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.519999999999996 111.147 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.64 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 42.140000000000001 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -163.18 33.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.892 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -132.68 -179.01 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 61.439999999999998 110.909 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -118.13 -46.47 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.861 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 178.5 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 41.399999999999999 112.516 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 159.96 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 43.109999999999999 112.512 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -160.1 180.0 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 70.25 110.861 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.2 m -138.62 146.74 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 64.310000000000002 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.46 130.1 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.899 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 38' ' ' VAL . 87.5 m-20 55.93 43.75 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.109999999999999 110.92 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.19 16.61 58.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 50.100000000000001 112.487 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 36' ' ' ASN . 61.7 t -118.64 134.9 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 65.430000000000007 111.122 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.86 117.52 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.865 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.93 125.58 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 60.530000000000001 111.161 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 m -86.75 143.73 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 64.209999999999994 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 71.530000000000001 110.848 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.877 0.37 . . . . 74.349999999999994 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.8 p -55.93 -39.14 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -70.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 55.340000000000003 111.052 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -52.01 -34.95 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 74.010000000000005 110.897 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -63.1 -60.01 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.868 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -43.81 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 110.856 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.464 HG23 ' HA ' ' A' ' 30' ' ' LYS . 40.1 mt -59.02 -68.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.105 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.99 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.040000000000006 111.102 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -69.69 -76.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.891 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -152.16 48.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 72.099999999999994 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 179.55 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.510000000000005 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.3 mmpt? -131.63 -54.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 110.891 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.11 -178.35 22.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 73.129999999999995 112.483 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.93 160.93 34.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 65.200000000000003 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 t -157.18 170.37 22.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.407 . . . . 73.109999999999999 110.833 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -108.52 136.93 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.73 109.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 52.43 110.915 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 53.42 28.48 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.010000000000005 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.91 18.25 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.230000000000004 112.471 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.35 131.56 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.329999999999998 111.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.6 t -76.43 105.75 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 35.409999999999997 110.835 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.87 122.25 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.230000000000004 111.085 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.86 159.82 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 65.25 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.230000000000004 110.871 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.82 0.343 . . . . 73.450000000000003 111.09 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -55.89 -49.89 72.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.349999999999994 110.906 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.42 -61.46 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.450000000000003 111.097 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.44 -37.82 57.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 75.310000000000002 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -59.96 -61.49 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.109999999999999 110.842 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.24 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.439999999999998 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.53 -63.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 54.240000000000002 111.14 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -29.93 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 111.138 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -71.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 53.310000000000002 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.02 32.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -130.43 -179.81 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 64.109999999999999 110.86 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -128.84 -39.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.904 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.79 165.46 12.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 52.539999999999999 112.509 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.78 151.33 22.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 44.109999999999999 112.483 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -160.78 -179.98 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 70.239999999999995 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.21 159.73 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 75.150000000000006 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -172.74 141.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.420000000000002 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 38' ' ' VAL . 21.0 m120 53.2 41.89 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.109999999999999 110.942 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 18.54 46.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 74.450000000000003 112.458 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 36' ' ' ASN . 57.6 t -130.1 140.65 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.377 . . . . 51.549999999999997 111.132 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.0 p -74.33 130.57 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 73.439999999999998 110.834 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -123.88 150.71 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 111.094 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -101.47 156.58 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.299999999999997 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.230000000000004 110.827 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.778 0.323 . . . . 54.140000000000001 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -54.53 -44.35 72.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.200000000000003 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 111.126 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.3 pp -51.71 -31.04 24.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.209999999999994 110.926 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' N ' HD12 ' A' ' 22' ' ' LEU . 86.3 t60 -63.22 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 110.851 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -41.93 76.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.624 HG23 ' HA ' ' A' ' 30' ' ' LYS . 39.8 mt -58.1 -66.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.530000000000001 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.86 60.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.140000000000001 111.091 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.42 -73.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.120000000000005 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -155.52 42.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 75.540000000000006 110.839 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.7 -169.88 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.93 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.1 mmpt? -136.82 -41.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 71.310000000000002 110.857 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.5 169.72 19.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 54.210000000000001 112.492 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.06 153.63 23.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 71.219999999999999 112.487 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -153.48 -179.65 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 75.120000000000005 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 t -104.84 116.52 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 64.349999999999994 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.69 126.01 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 70.129999999999995 110.943 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 55.56 26.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.912 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.03 23.17 57.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 64.439999999999998 112.496 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.4 t -135.53 134.84 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 74.319999999999993 111.153 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 t -65.1 105.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.25 138.62 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 111.141 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.4 m -92.61 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.85 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.918 0.389 . . . . 74.439999999999998 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.1 p -126.4 -37.52 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 65.040000000000006 111.156 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 t -93.05 43.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -105.01 98.61 8.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 73.530000000000001 110.889 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.12 -30.64 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 63.200000000000003 111.132 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.04 146.36 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 62.229999999999997 110.928 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 t -132.95 159.13 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 72.140000000000001 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -139.22 171.68 13.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.925 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -76.24 90.11 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 110.871 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.94 73.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 62.200000000000003 111.084 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -87.09 94.92 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 70.129999999999995 110.946 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' ILE . . . 87.82 25.92 30.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 44.340000000000003 112.455 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 12' ' ' GLY . 28.8 mm -124.52 138.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 74.040000000000006 111.134 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.04 111.85 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.11 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -141.71 144.5 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 63.25 111.157 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.2 127.87 31.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.873 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -146.57 157.93 43.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -65.13 93.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.010000000000005 110.868 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.15 -40.39 71.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 43.130000000000003 111.093 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 t -54.62 -39.1 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.64 -69.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.112 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.88 -30.39 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.495 ' N ' HD12 ' A' ' 22' ' ' LEU . 66.2 t60 -63.44 -63.16 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 110.886 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -42.18 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 110.881 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.656 HG23 ' HA ' ' A' ' 30' ' ' LYS . 47.4 mt -58.78 -67.65 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 64.030000000000001 111.151 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.44 -29.86 37.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.08 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.89 -75.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.432 . . . . 54.43 110.924 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -152.11 47.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 75.239999999999995 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -153.13 -174.64 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 71.219999999999999 110.925 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.656 ' HA ' HG23 ' A' ' 25' ' ' ILE . 23.3 mtmt -136.34 -41.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.906 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.18 173.44 17.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 33.340000000000003 112.526 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.17 152.52 24.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 65.319999999999993 112.44 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 t -156.97 165.96 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 74.049999999999997 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 p -128.93 153.5 47.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 73.549999999999997 110.872 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -146.55 113.95 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 70.230000000000004 110.942 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 51.96 44.15 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.901 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.4 18.78 78.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 60.5 112.471 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.7 132.93 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 60.140000000000001 111.121 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.3 t -71.28 126.51 29.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 t -132.21 125.12 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 74.019999999999996 111.089 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.2 m -88.19 147.4 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 71.319999999999993 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -150.18 169.06 22.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 64.040000000000006 110.914 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -89.77 -44.55 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.88 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.937 0.398 . . . . 72.420000000000002 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -131.18 168.69 17.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 64.299999999999997 111.119 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t 57.29 40.99 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.894 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -93.57 -25.65 17.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.897 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.79 56.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.030000000000001 111.138 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.26 135.31 57.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.430000000000007 110.958 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.3 p -163.85 144.32 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 110.875 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -82.24 -26.99 32.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.209999999999994 110.906 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -118.31 106.01 12.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 74.030000000000001 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.5 63.71 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 62.119999999999997 111.106 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -124.71 26.08 7.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.319999999999993 110.935 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.68 -21.31 5.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 73.109999999999999 112.503 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.506 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.8 mp -82.65 -28.26 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 62.32 111.187 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . . . -79.69 166.61 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 60.210000000000001 111.109 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.13 149.06 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 70.510000000000005 111.129 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 59.03 46.14 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.889 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 14' ' ' ALA . 33.1 m-70 -52.23 156.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 71.409999999999997 110.84 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.28 110.25 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.893 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.37 -36.84 60.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 74.230000000000004 111.076 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.33 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 64.540000000000006 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.15 -69.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 62.039999999999999 111.109 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.3 pp -51.65 -30.7 22.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 75.230000000000004 110.906 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.535 ' N ' HD12 ' A' ' 22' ' ' LEU . 65.4 t60 -63.13 -64.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.851 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -44.43 69.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.879 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 22' ' ' LEU . 46.2 mt -55.14 -62.34 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 74.230000000000004 111.133 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.94 -30.67 66.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 64.5 111.11 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.48 -65.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.430000000000007 110.952 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.47 44.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 74.150000000000006 110.863 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.48 163.39 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 110.877 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -38.88 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 110.905 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.63 176.05 25.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.754 . . . . 60.329999999999998 112.498 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.12 111.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 63.240000000000002 112.504 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -128.16 -179.96 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 52.420000000000002 110.86 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 m -132.87 134.38 44.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 42.229999999999997 110.866 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -129.2 131.19 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 38' ' ' VAL . 18.9 m-20 54.88 43.87 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 62.210000000000001 110.88 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.46 18.8 61.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.761 . . . . 73.439999999999998 112.492 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 36' ' ' ASN . 43.3 t -120.96 147.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 63.240000000000002 111.132 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.71 124.99 27.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 64.340000000000003 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -136.46 105.22 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 62.109999999999999 111.118 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.11 134.76 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.873 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -131.49 172.13 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 110.845 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -68.52 -28.24 66.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 71.230000000000004 110.9 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 31.52 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.886 0.374 . . . . 63.329999999999998 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -59.53 -67.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 111.166 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.592 ' HB3' HG22 ' A' ' 5' ' ' VAL . 1.9 t -76.17 -22.58 55.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 61.439999999999998 110.9 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.2 t70 60.76 26.45 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 53.020000000000003 110.853 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' ' 3' ' ' CYS . 29.7 m -97.9 42.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 70.040000000000006 111.155 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.8 26.24 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.310000000000002 110.908 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 27.2 p -170.97 159.31 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 24.440000000000001 110.884 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -112.68 -28.24 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 73.519999999999996 110.836 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.94 61.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.049999999999997 110.843 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HA ' HD11 ' A' ' 13' ' ' ILE . . . -158.15 106.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 60.149999999999999 111.124 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -122.78 91.85 3.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 75.040000000000006 110.927 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.8 89.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 34.520000000000003 112.465 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 10' ' ' ALA . 2.7 mp -131.94 -72.49 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 63.340000000000003 111.103 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.58 153.69 22.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 70.349999999999994 111.108 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.0 t -84.53 -25.43 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 74.200000000000003 111.163 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -88.69 50.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 64.409999999999997 110.878 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.618 ' CE1' HD23 ' A' ' 22' ' ' LEU . 12.5 p80 -70.4 -173.4 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.540000000000006 110.835 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -52.69 121.09 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.510000000000005 110.845 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.89 -30.47 56.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 70.400000000000006 111.133 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.2 t -54.34 -42.85 70.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.918 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.31 -69.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 111.093 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.618 HD23 ' CE1' ' A' ' 17' ' ' HIS . 3.8 pp -51.88 -32.59 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.947 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' LEU . 73.1 t60 -62.51 -63.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.439999999999998 110.809 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.43 -46.96 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.911 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.42 -61.53 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 111.141 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.26 -30.05 64.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 111.082 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -70.02 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.329999999999998 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -159.65 45.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 74.540000000000006 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -145.57 179.4 7.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.510000000000005 110.864 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -118.3 -31.69 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 74.439999999999998 110.912 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.58 179.9 18.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 63.140000000000001 112.482 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.99 158.2 28.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 60.119999999999997 112.454 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.2 m -161.12 175.67 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 73.040000000000006 110.902 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.2 t -138.34 139.99 39.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 30.140000000000001 110.901 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -143.61 143.18 31.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.120000000000005 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m120 55.58 26.92 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 62.32 110.906 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.72 22.97 76.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.727 . . . . 42.130000000000003 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -128.39 139.91 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 65.230000000000004 111.135 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.47 138.09 48.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 64.310000000000002 110.89 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.3 t -143.9 129.46 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.329999999999998 111.113 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -85.19 147.81 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 64.349999999999994 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -150.82 174.34 13.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -137.54 136.01 37.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 71.010000000000005 110.91 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 2.3300000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.936 0.398 . . . . 62.119999999999997 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.51 162.42 36.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 111.164 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HB3' HD21 ' A' ' 6' ' ' LEU . 20.3 m -82.12 57.7 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 62.030000000000001 110.844 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -104.5 -42.49 5.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.319999999999993 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.65 48.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 111.17 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 3' ' ' CYS . 66.2 mt -52.53 135.41 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 64.439999999999998 110.966 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.7 p -167.47 -175.2 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.842 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -52.13 128.08 23.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 75.310000000000002 110.875 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -162.49 131.2 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 61.049999999999997 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.56 143.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.129 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm 63.95 19.99 12.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 55.119999999999997 110.939 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.43 59.93 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 45.43 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.508 HD12 ' H ' ' A' ' 13' ' ' ILE . 5.3 mp -74.1 -25.25 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 75.430000000000007 111.141 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.55 99.18 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 52.200000000000003 111.094 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -162.5 142.81 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 111.113 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -52.17 -45.24 65.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.329999999999998 110.913 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -52.18 169.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 60.509999999999998 110.854 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 t 63.17 54.26 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 70.040000000000006 110.882 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.37 72.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 61.119999999999997 111.058 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.0 t -57.31 -41.93 80.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 62.219999999999999 110.915 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -69.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 111.091 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.89 -30.74 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 74.530000000000001 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.63 -62.69 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 62.009999999999998 110.789 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -43.53 70.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 73.239999999999995 110.902 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG23 ' HA ' ' A' ' 30' ' ' LYS . 61.9 mt -60.39 -68.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 70.140000000000001 111.073 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.7 -30.16 21.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 52.32 111.135 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.2 tp -69.58 -71.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.874 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -158.96 49.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -151.47 -177.7 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.1 mmpt? -134.06 -41.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 110.892 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.6 178.36 22.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 51.43 112.489 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.59 145.13 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 43.009999999999998 112.446 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -155.8 178.5 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 74.140000000000001 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.0 m -133.21 138.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 44.310000000000002 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -133.85 127.78 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.25 110.945 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m120 53.51 39.6 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.943 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.68 72.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 43.229999999999997 112.506 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.2 t -122.26 138.2 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 73.150000000000006 111.126 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.13 129.32 40.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 61.420000000000002 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 38' ' ' VAL . 47.0 t -133.1 126.41 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.082 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.9 m -87.2 153.11 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.450000000000003 110.87 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.19 149.57 30.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.85 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -83.29 26.23 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 73.140000000000001 110.913 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 34.439999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.89 0.376 . . . . 72.329999999999998 111.108 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -61.42 -44.29 97.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 111.135 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 48.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 52.240000000000002 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.17 113.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 54.539999999999999 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -81.12 57.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.040000000000006 111.173 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.578 HD13 ' HD2' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -107.47 156.08 19.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.439999999999998 110.962 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -97.08 119.72 36.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 53.409999999999997 110.832 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.578 ' HD2' HD13 ' A' ' 6' ' ' LEU . 8.6 m-85 -157.11 166.55 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.856 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -53.64 -34.11 57.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.88 43.15 5.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 44.25 111.095 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.587 ' HB2' HD11 ' A' ' 13' ' ' ILE . 1.5 mmmm -111.99 25.64 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 72.340000000000003 110.914 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.64 56.8 13.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 74.230000000000004 112.503 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.587 HD11 ' HB2' ' A' ' 11' ' ' LYS . 5.4 mp -99.41 -72.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.361 . . . . 71.519999999999996 111.137 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.85 25.02 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 51.299999999999997 111.144 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -103.47 118.43 50.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 54.329999999999998 111.117 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -133.1 37.13 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 65.230000000000004 110.879 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -116.78 34.47 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.340000000000003 110.862 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 p -122.29 35.71 4.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 53.340000000000003 110.813 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.38 -44.51 97.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 65.439999999999998 111.09 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -57.18 -41.27 78.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -69.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 54.399999999999999 111.105 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.1 pp -51.97 -34.97 44.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.099999999999994 110.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.545 ' N ' HD12 ' A' ' 22' ' ' LEU . 54.5 t60 -62.86 -64.21 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 60.219999999999999 110.856 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.13 -42.69 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 60.509999999999998 110.874 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.1 mt -60.03 -68.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 72.200000000000003 111.136 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.1 20.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.131 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.68 -74.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -156.09 46.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.1 178.45 8.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.889 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.77 -39.98 2.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 55.219999999999999 110.89 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -114.07 176.84 17.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 75.329999999999998 112.457 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.84 150.07 17.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 64.109999999999999 112.506 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -157.43 179.99 8.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 73.349999999999994 110.825 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -131.15 133.81 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.119999999999997 110.881 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -120.73 118.85 31.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.219999999999999 110.964 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.4 t30 53.38 36.42 22.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.853 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.44 20.26 77.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 72.430000000000007 112.534 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 40' ' ' VAL . 85.3 t -119.34 126.87 75.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.835 0.35 . . . . 72.530000000000001 111.141 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.7 m -55.17 124.33 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 33.32 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 38' ' ' VAL . 61.1 t -131.79 134.7 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 64.200000000000003 111.092 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -94.8 154.87 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.519999999999996 110.863 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -154.6 157.13 37.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.140000000000001 110.899 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -103.51 38.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.881 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 32.130000000000003 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.955 0.407 . . . . 50.340000000000003 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -130.53 162.56 28.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 74.5 111.129 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 t 57.05 26.36 11.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 41.329999999999998 110.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.57 118.89 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 110.876 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.9 t -109.64 -25.81 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 111.166 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.2 mt -60.88 120.97 11.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 54.520000000000003 110.937 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -164.39 149.59 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.891 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -59.88 154.13 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 63.25 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.29 90.17 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 65.540000000000006 110.913 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.95 115.09 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.200000000000003 111.142 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -116.47 158.15 24.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.46 -19.85 5.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 65.530000000000001 112.518 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.16 -28.62 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 63.420000000000002 111.142 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.78 40.7 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.0 m -53.86 148.11 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 70.030000000000001 111.178 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -121.78 134.58 54.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.129999999999995 110.895 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -120.61 67.56 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.420000000000002 110.841 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -174.0 112.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 52.109999999999999 110.861 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.58 ' HA ' HD21 ' A' ' 22' ' ' LEU . . . -60.75 -31.59 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 64.230000000000004 111.087 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.1 m -58.49 -32.53 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 74.030000000000001 110.864 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -70.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 41.350000000000001 111.083 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -57.23 -33.14 67.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 110.941 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -63.69 -61.56 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 110.864 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -44.56 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 52.229999999999997 110.862 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.88 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 111.13 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.27 -29.98 25.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 52.219999999999999 111.081 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -69.41 -74.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -154.48 47.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 53.409999999999997 110.876 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -150.08 178.66 8.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -123.15 -35.65 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 70.150000000000006 110.893 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.24 153.58 17.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 72.019999999999996 112.469 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.88 148.18 19.83 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 54.310000000000002 112.488 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 p -161.51 179.89 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 42.399999999999999 110.876 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.6 t -127.97 118.94 24.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 63.539999999999999 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -112.33 131.48 55.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.864 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.8 m120 52.23 42.27 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 110.889 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.75 24.68 68.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 72.5 112.502 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 36' ' ' ASN . 40.6 t -128.22 145.69 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 75.540000000000006 111.12 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.13 119.23 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.864 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.83 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 111.136 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -98.12 146.39 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 42.210000000000001 110.867 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -142.18 177.63 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.858 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -106.44 163.47 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 110.921 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 31.140000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.9 0.381 . . . . 54.210000000000001 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 64.3 p -135.63 -179.05 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 52.340000000000003 111.188 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.5 m 59.29 46.26 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.8 -39.06 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.140000000000001 110.872 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 m -62.05 -25.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 54.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.9 mt 56.43 39.19 30.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 73.430000000000007 110.885 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m -63.45 143.95 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 65.200000000000003 110.82 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -74.19 -27.13 60.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 75.329999999999998 110.873 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -111.38 102.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 70.519999999999996 110.884 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.74 26.48 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 111.134 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -135.97 119.93 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.299999999999997 110.845 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.77 33.37 3.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 54.109999999999999 112.449 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 15' ' ' VAL . 4.5 mp -104.89 -27.47 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 62.149999999999999 111.108 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.3 41.25 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 72.530000000000001 111.101 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.525 HG23 HG22 ' A' ' 13' ' ' ILE . 69.9 t -135.49 136.43 50.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 62.310000000000002 111.11 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -117.94 77.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 72.129999999999995 110.904 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -120.18 37.32 4.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.828 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.37 93.48 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 70.109999999999999 110.848 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.44 57.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.540000000000006 111.075 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 t -54.37 -44.66 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -67.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 74.25 111.127 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.75 -31.29 26.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 63.009999999999998 110.869 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.549 ' O ' HD13 ' A' ' 27' ' ' LEU . 83.7 t60 -64.01 -67.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.510000000000005 110.866 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.7 -46.47 63.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.904 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.7 mt -55.81 -66.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 52.340000000000003 111.155 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.46 -29.94 27.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.150000000000006 111.133 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 23' ' ' HIS . 4.0 mp -66.58 -75.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 110.916 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -156.1 42.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 71.450000000000003 110.852 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 172.91 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 mmtp -128.23 -38.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 61.240000000000002 110.911 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.64 166.0 31.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 72.319999999999993 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 117.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 54.450000000000003 112.534 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -138.9 179.99 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 71.299999999999997 110.875 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -134.99 135.03 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 65.030000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -139.31 140.88 37.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.911 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.88 25.3 14.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.888 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.3 3.6 88.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 61.530000000000001 112.491 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.2 t -112.64 148.39 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 70.349999999999994 111.136 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.9 p -74.27 141.02 45.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 62.520000000000003 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -148.03 123.02 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.049999999999997 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.93 140.46 34.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.842 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -124.94 147.23 48.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.049999999999997 110.91 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.54 -53.4 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 110.891 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 12.119999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.971 0.415 . . . . 75.329999999999998 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -133.62 158.77 42.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 64.329999999999998 111.167 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 5' ' ' VAL . 5.8 t -128.84 30.73 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 73.120000000000005 110.862 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t0 53.01 29.21 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 3' ' ' CYS . 82.6 t -73.95 80.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 111.101 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 pp -168.43 173.54 7.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.319999999999993 110.941 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -103.5 141.05 36.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -55.61 130.7 44.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 74.129999999999995 110.913 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -153.93 125.33 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.903 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 16.4 26.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 74.450000000000003 111.084 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -131.78 23.34 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.349999999999994 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.31 57.31 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.795 -0.717 . . . . 63.329999999999998 112.497 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.02 127.89 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 62.240000000000002 111.103 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.77 -174.67 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.219999999999999 111.102 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.9 p -70.92 -25.15 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 54.219999999999999 111.152 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -79.15 120.3 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 65.450000000000003 110.939 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.695 ' CE1' ' HB2' ' A' ' 19' ' ' ALA . 19.4 p80 -171.55 156.05 4.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.219999999999999 110.854 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.8 t -78.73 65.87 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 44.109999999999999 110.85 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . . . -68.16 -37.53 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 71.439999999999998 111.1 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.6 p -53.6 -39.67 65.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.340000000000003 110.911 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -70.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 34.030000000000001 111.144 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.2 pp -51.99 -30.65 26.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.409999999999997 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' N ' HD12 ' A' ' 22' ' ' LEU . 77.0 t60 -63.8 -62.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.409999999999997 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.913 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.529 HG23 ' HA ' ' A' ' 30' ' ' LYS . 62.8 mt -58.78 -67.47 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 111.175 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.03 -30.04 33.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 54.109999999999999 111.106 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.08 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 110.933 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -155.08 46.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.010000000000005 110.868 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 -179.35 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.895 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HA ' HG23 ' A' ' 25' ' ' ILE . 16.7 mmtp -133.44 -40.61 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 65.409999999999997 110.861 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.07 165.15 14.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 62.43 112.475 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.22 140.2 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 52.119999999999997 112.478 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -146.06 -179.87 7.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 75.239999999999995 110.849 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 t -137.35 113.54 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.219999999999999 110.867 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -116.99 139.23 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 51.119999999999997 110.904 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 53.27 42.07 32.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.871 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.77 18.59 59.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 75.319999999999993 112.536 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.5 t -124.32 131.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 71.030000000000001 111.094 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.87 141.15 51.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.439999999999998 110.887 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -140.41 147.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 40.310000000000002 111.123 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 m -93.13 143.5 26.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.907 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.34 107.91 13.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 65.209999999999994 110.878 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -68.58 144.76 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 10.41 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.933 0.397 . . . . 65.299999999999997 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -123.71 167.98 13.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 111.178 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.0 m 58.72 35.97 24.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -113.03 26.21 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 70.209999999999994 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.81 66.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 73.430000000000007 111.09 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.17 26.0 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 110.961 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 m -104.53 167.42 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 110.867 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 10' ' ' ALA . 34.4 p90 -89.72 -176.1 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 42.340000000000003 110.903 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -70.72 83.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 63.420000000000002 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . . . -120.37 -8.4 9.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 62.149999999999999 111.148 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt 63.13 25.95 15.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.15 50.34 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 62.109999999999999 112.478 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.408 HG21 ' CE1' ' A' ' 17' ' ' HIS . 30.1 mm -73.46 143.78 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 72.209999999999994 111.155 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.71 170.64 14.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 62.219999999999999 111.11 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.61 -33.01 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 64.319999999999993 111.099 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 16' ' ' ASN . 3.0 p30 -75.77 88.07 2.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.140000000000001 110.873 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CE1' HG21 ' A' ' 13' ' ' ILE . 67.8 m-70 -85.31 155.79 21.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.040000000000006 110.885 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 p -71.24 117.96 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 55.210000000000001 110.836 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.0 -45.33 67.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 64.400000000000006 111.081 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.1 p -54.76 -39.45 68.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 55.5 110.885 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.11 -70.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 71.420000000000002 111.05 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -51.93 -32.1 31.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 110.932 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -63.71 -60.66 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 65.540000000000006 110.88 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.89 -43.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.71 -67.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.132 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.03 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 61.32 111.108 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.09 -71.35 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 52.039999999999999 110.937 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -158.88 49.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 75.349999999999994 110.846 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -153.2 178.43 9.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.909 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.59 -41.54 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 73.420000000000002 110.899 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.03 168.45 12.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.719 . . . . 64.120000000000005 112.51 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.01 140.65 6.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 40.5 112.481 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.6 p -156.62 179.98 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 52.219999999999999 110.856 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.9 t -119.87 136.16 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -133.45 135.97 44.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 60.520000000000003 110.934 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 53.86 36.87 25.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.862 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.94 21.61 73.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 43.020000000000003 112.528 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.17 132.45 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 73.120000000000005 111.107 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.0 m -61.06 135.56 57.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 62.5 110.855 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.66 139.54 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 73.299999999999997 111.16 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.4 m -89.78 152.36 21.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 60.350000000000001 110.894 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -152.0 162.75 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 72.109999999999999 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -103.5 149.24 25.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 75.310000000000002 110.885 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 3.2200000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.971 0.415 . . . . 73.230000000000004 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -137.5 173.94 11.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 64.040000000000006 111.146 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 t 63.09 34.47 13.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 51.409999999999997 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -67.78 -26.21 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.808 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -63.4 95.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 75.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -111.73 36.05 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 72.519999999999996 110.887 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -111.09 129.77 55.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.868 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -115.02 -27.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.864 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -59.7 -30.66 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 53.310000000000002 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.69 67.18 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.25 111.083 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -99.25 31.08 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 74.519999999999996 110.895 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 -19.57 9.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 63.299999999999997 112.527 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.8 mp -95.43 -21.57 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 73.310000000000002 111.13 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 64.02 43.25 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 111.096 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.56 -24.75 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 72.25 111.163 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 16' ' ' ASN . 2.4 p30 -71.39 81.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.310000000000002 110.922 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -128.6 142.44 51.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 p -138.76 141.23 38.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.841 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 111.076 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 p -54.59 -39.36 67.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.0 -70.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 111.117 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -51.82 -29.95 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.340000000000003 110.92 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -63.73 -67.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 63.140000000000001 110.85 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.89 -44.11 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.040000000000006 110.89 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 50.0 mt -56.41 -66.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 71.150000000000006 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.1 -32.08 45.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 111.061 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.1 -70.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 65.209999999999994 110.965 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -162.74 47.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 110.865 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.62 165.63 28.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.893 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 64.129999999999995 110.895 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.83 166.3 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 30.149999999999999 112.476 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.6 138.85 6.14 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 71.340000000000003 112.511 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -154.87 -179.88 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 73.109999999999999 110.839 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 p -140.86 132.9 27.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 72.109999999999999 110.876 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 72.019999999999996 110.888 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 53.37 41.07 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 60.210000000000001 110.883 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.84 18.13 73.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 63.32 112.472 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.33 129.89 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 74.219999999999999 111.128 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.4 m -72.82 119.11 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.400000000000006 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 40' ' ' VAL . 17.7 m -138.02 121.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 65.120000000000005 111.165 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -97.61 139.7 33.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -122.07 167.17 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.310000000000002 110.884 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.04 81.52 1.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 110.866 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 4.2199999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.889 0.376 . . . . 52.299999999999997 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.7 p -91.72 169.54 10.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 72.230000000000004 111.157 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.1 m 60.48 48.21 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 71.209999999999994 110.865 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.55 92.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 110.892 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 m -104.27 34.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 111.17 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.66 162.92 2.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.340000000000003 110.913 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.4 m -58.02 102.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.439999999999998 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -145.4 178.27 8.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 74.430000000000007 110.837 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -66.62 -74.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 110.864 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.21 144.52 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.420000000000002 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt 63.79 19.97 11.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 71.400000000000006 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 54.64 4.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 43.229999999999997 112.471 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 15' ' ' VAL . 34.9 mm -94.52 135.58 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 70.329999999999998 111.123 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.68 35.71 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.120000000000005 111.088 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.555 ' H ' HG22 ' A' ' 13' ' ' ILE . 21.9 t -137.95 140.45 40.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 111.077 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.83 26.21 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 62.020000000000003 110.879 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' H ' HG12 ' A' ' 15' ' ' VAL . 2.2 p80 -173.16 143.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 73.420000000000002 110.88 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.6 p -111.19 77.44 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 70.420000000000002 110.891 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.6 -34.95 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 64.010000000000005 111.117 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.65 -51.45 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 44.130000000000003 110.905 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -61.94 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 25.510000000000002 111.076 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 25' ' ' ILE . 15.4 mt -51.82 -37.86 53.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.919 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -60.07 -58.78 7.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 70.319999999999993 110.884 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -42.17 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 22' ' ' LEU . 38.3 mt -59.86 -69.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 60.539999999999999 111.129 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.24 -29.81 24.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 111.137 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.97 -76.01 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 52.310000000000002 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -152.43 47.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 64.209999999999994 110.875 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.82 -179.24 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.494 ' HA ' HG23 ' A' ' 25' ' ' ILE . 44.0 mmtt -133.36 -45.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.894 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.09 176.6 31.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.752 . . . . 41.43 112.437 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.99 132.81 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 34.520000000000003 112.512 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -150.79 179.84 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 54.409999999999997 110.859 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.7 t -140.38 135.82 32.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 64.099999999999994 110.888 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -139.85 144.44 37.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.887 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 m120 55.93 26.56 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 63.020000000000003 110.89 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.91 19.01 80.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 70.230000000000004 112.462 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.49 141.84 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 60.240000000000002 111.086 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.7 129.09 36.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 64.329999999999998 110.9 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 40' ' ' VAL . 17.8 m -143.04 121.83 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.209999999999994 111.097 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.86 139.63 31.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 64.140000000000001 110.887 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.12 172.83 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.519999999999996 110.851 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.97 150.45 31.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.420000000000002 110.9 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.856 0.36 . . . . 70.200000000000003 111.086 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -90.98 168.13 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 111.147 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.0 m -86.31 54.47 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 110.863 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -66.11 90.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 54.219999999999999 110.876 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -116.82 -17.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 70.0 111.083 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 7' ' ' SER . 1.5 pp -51.65 168.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.896 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.648 ' O ' HD12 ' A' ' 6' ' ' LEU . 25.3 p -60.88 -168.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 54.399999999999999 110.864 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 58.76 -177.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.109999999999999 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.32 89.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.9 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.97 83.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 61.409999999999997 111.095 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.83 59.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 62.039999999999999 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.65 60.47 8.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.722 . . . . 43.240000000000002 112.431 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 15' ' ' VAL . 47.6 mm -51.72 136.77 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 75.129999999999995 111.116 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.56 62.82 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 111.108 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 13' ' ' ILE . 39.1 t -146.33 148.27 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 71.150000000000006 111.148 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 2.5 p30 -60.56 97.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.340000000000003 110.858 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -135.56 49.59 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 62.32 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' O ' HD23 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -95.31 71.36 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 64.549999999999997 110.832 -179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.84 -58.64 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 62.310000000000002 111.08 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.06 -35.37 59.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 65.340000000000003 110.929 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -70.07 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 111.1 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 18' ' ' SER . 1.7 pp -52.02 -32.15 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.947 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' NE2' HD11 ' A' ' 27' ' ' LEU . 48.4 t60 -65.59 -68.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.450000000000003 110.892 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.05 -66.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 70.310000000000002 111.097 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.2 30.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.063 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD11 ' NE2' ' A' ' 23' ' ' HIS . 21.7 mt -67.63 -73.05 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 44.509999999999998 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 45.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 64.040000000000006 110.87 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.13 178.44 8.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 110.888 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -37.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 72.530000000000001 110.911 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.14 170.0 14.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 54.130000000000003 112.482 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.18 147.56 14.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 23.329999999999998 112.511 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 t -151.16 179.99 7.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 62.130000000000003 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.9 p -145.64 137.71 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.150000000000006 110.863 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -155.68 151.51 27.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.887 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 54.82 39.8 31.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 61.420000000000002 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.44 18.62 51.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 42.43 112.487 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.23 138.29 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 65.430000000000007 111.164 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.1 p -75.79 142.41 42.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.349999999999994 110.875 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m -135.41 155.54 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 32.119999999999997 111.132 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -102.94 157.38 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.340000000000003 110.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -157.1 155.84 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.5 110.854 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -94.58 -24.73 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.867 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.4099999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.909 0.385 . . . . 72.409999999999997 111.135 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -95.98 -49.75 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 111.085 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.6 t -88.35 -22.65 23.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 110.899 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -72.27 102.04 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.140000000000001 110.917 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.1 t -116.8 71.4 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 111.145 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.0 mt -132.1 48.02 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 65.5 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -85.98 -25.55 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 75.430000000000007 110.835 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -153.58 165.19 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 65.299999999999997 110.905 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -97.72 25.39 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.549999999999997 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.72 -8.05 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 64.109999999999999 111.091 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.19 24.04 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 63.240000000000002 110.89 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.71 50.19 0.82 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 64.209999999999994 112.484 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.11 144.51 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 74.450000000000003 111.139 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 93.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.140000000000001 111.118 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 t -139.33 151.34 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 111.128 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.48 72.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 52.32 110.867 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -133.56 131.07 39.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 75.030000000000001 110.896 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.4 p -153.44 138.72 17.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.239999999999995 110.846 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.12 -43.2 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.349999999999994 111.13 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 p -51.92 -40.89 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.862 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -62.2 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 62.530000000000001 111.12 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.619 ' HA ' HD12 ' A' ' 25' ' ' ILE . 8.8 mt -51.82 -40.27 60.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 110.908 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -58.62 -61.6 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.140000000000001 110.864 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.3 t -51.99 -46.34 64.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.943 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 22' ' ' LEU . 23.1 mt -53.29 -62.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 60.32 111.09 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.82 -30.48 61.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 54.030000000000001 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.95 -66.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.310000000000002 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -164.97 31.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.420000000000002 110.82 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -127.52 178.15 6.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -130.97 -44.99 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 74.540000000000006 110.85 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.32 167.46 15.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 70.409999999999997 112.481 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.14 134.7 4.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 64.219999999999999 112.516 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -149.43 155.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 40.109999999999999 110.878 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.4 t -116.73 131.03 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 65.409999999999997 110.835 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.644 ' CD ' HG21 ' A' ' 40' ' ' VAL . 7.1 pt20 -125.91 132.42 52.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 72.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 52.07 35.0 15.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 71.219999999999999 110.876 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.27 28.2 70.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 72.140000000000001 112.532 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -125.82 137.34 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 63.210000000000001 111.111 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 72.0 m -72.22 122.28 20.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 61.399999999999999 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.644 HG21 ' CD ' ' A' ' 35' ' ' GLN . 39.8 t -135.51 100.2 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.040000000000006 111.127 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -87.36 134.65 33.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 73.420000000000002 110.917 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -116.69 158.38 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -80.86 32.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 61.310000000000002 110.905 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 34.149999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.97 0.414 . . . . 63.310000000000002 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -115.7 -32.67 5.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.400000000000006 111.13 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -100.08 39.75 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 51.520000000000003 110.885 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -112.14 -26.25 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 64.510000000000005 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.7 t -55.93 -25.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 111.114 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt 52.66 45.25 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 53.420000000000002 110.91 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -116.56 44.35 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.349999999999994 110.909 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -114.05 -27.39 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 75.140000000000001 110.85 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.17 82.11 0.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 61.549999999999997 110.892 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.51 113.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 70.430000000000007 111.094 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -104.54 35.56 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.79 -20.14 9.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 61.399999999999999 112.482 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.506 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.2 mp -88.15 -27.81 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 75.400000000000006 111.151 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 63.81 33.22 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 54.530000000000001 111.093 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 HG22 ' A' ' 13' ' ' ILE . 22.0 t -137.81 149.54 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 64.400000000000006 111.119 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -97.5 126.58 42.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 73.430000000000007 110.899 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -110.8 42.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 110.838 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 p -131.85 86.6 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 60.219999999999999 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.38 87.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 62.509999999999998 111.095 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.4 t -57.53 -41.57 81.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.530000000000001 110.875 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.34 -70.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 65.430000000000007 111.101 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.0 pp -52.04 -30.88 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 64.239999999999995 110.891 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.436 ' N ' HD12 ' A' ' 22' ' ' LEU . 85.9 t60 -62.9 -62.04 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 110.866 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -43.23 77.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 54.020000000000003 110.896 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.7 mt -58.75 -67.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 64.040000000000006 111.103 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.2 44.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 34.310000000000002 111.06 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -66.98 -72.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -158.87 47.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.876 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.84 176.07 11.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.310000000000002 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.6 -37.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.010000000000005 110.89 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 165.24 12.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 75.409999999999997 112.469 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.88 136.57 4.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 62.439999999999998 112.508 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 t -152.97 155.28 36.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 70.510000000000005 110.868 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.4 t -94.3 128.45 40.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 72.219999999999999 110.866 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.34 133.41 47.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 75.019999999999996 110.936 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.5 t30 53.65 45.96 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 110.881 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.71 19.57 49.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 70.340000000000003 112.461 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 40' ' ' VAL . 92.1 t -135.01 130.4 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.382 . . . . 62.329999999999998 111.096 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.52 139.32 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 64.409999999999997 110.829 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 38' ' ' VAL . 43.0 t -139.37 136.27 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 73.040000000000006 111.145 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 m -88.8 145.74 25.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 51.420000000000002 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -146.32 162.26 38.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 71.030000000000001 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -93.02 29.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 70.140000000000001 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.889 0.375 . . . . 64.019999999999996 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.0 m -132.26 -64.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 64.010000000000005 111.14 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.9 50.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.861 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.29 30.46 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.450000000000003 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -85.17 77.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 74.140000000000001 111.104 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.15 22.64 6.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 65.319999999999993 110.915 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.4 m -162.61 103.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 64.409999999999997 110.875 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -72.99 165.47 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 73.230000000000004 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -134.69 116.7 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 75.099999999999994 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.73 97.85 11.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 75.420000000000002 111.097 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -170.98 144.49 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 64.439999999999998 110.856 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.72 49.07 3.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.230000000000004 112.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -136.94 -41.19 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 63.439999999999998 111.158 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.31 177.57 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 61.450000000000003 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.82 150.1 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 74.049999999999997 111.133 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -82.7 130.07 35.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 64.010000000000005 110.885 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -104.75 30.25 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.32 110.877 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.8 80.69 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 55.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.8 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.010000000000005 111.129 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -55.75 -46.09 77.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 42.329999999999998 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.19 -67.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 43.210000000000001 111.123 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.0 pp -51.82 -35.42 44.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 62.409999999999997 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.552 ' N ' HD12 ' A' ' 22' ' ' LEU . 57.0 t60 -58.69 -63.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.861 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -55.81 -46.53 78.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.120000000000005 110.886 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 22' ' ' LEU . 29.1 mt -52.62 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.33 -29.84 66.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 111.121 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.75 -65.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 110.929 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -167.21 32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -125.98 167.61 15.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 55.25 110.934 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.82 -45.81 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.540000000000006 110.864 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.1 169.86 16.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 63.43 112.456 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.52 146.68 12.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 71.329999999999998 112.513 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -159.49 -179.95 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.914 0.387 . . . . 54.240000000000002 110.879 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 m -122.44 158.4 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 61.140000000000001 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.51 136.5 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 65.420000000000002 110.89 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.0 m-20 53.03 44.32 30.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 65.340000000000003 110.861 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.59 18.83 46.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.229999999999997 112.458 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 36' ' ' ASN . 99.5 t -128.97 140.83 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.87 0.367 . . . . 75.099999999999994 111.139 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.2 p -74.25 140.09 44.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.219999999999999 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' VAL . 17.7 m -143.64 121.23 6.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 63.409999999999997 111.147 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -95.73 137.18 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -129.01 173.51 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 74.519999999999996 110.851 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -96.27 -64.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.230000000000004 110.888 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 63.200000000000003 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.938 0.399 . . . . 74.450000000000003 111.155 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -126.31 -42.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 111.122 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.96 84.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 62.539999999999999 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -57.22 120.26 7.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 74.299999999999997 110.824 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.1 m -107.07 50.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.349999999999994 111.108 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 6' ' ' LEU . 18.6 mt -86.17 123.91 31.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 64.030000000000001 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -156.39 106.27 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 44.340000000000003 110.839 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 t80 63.18 28.25 15.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.9 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.21 120.62 15.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 61.109999999999999 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.72 55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 71.430000000000007 111.092 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -129.35 111.98 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 71.209999999999994 110.933 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.77 61.1 1.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 74.310000000000002 112.525 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.5 -28.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 73.519999999999996 111.133 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.58 73.36 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 72.450000000000003 111.111 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.704 HG12 ' CD2' ' A' ' 17' ' ' HIS . 21.7 t -116.51 -33.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 111.129 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 60.7 44.25 11.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 110.926 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.704 ' CD2' HG12 ' A' ' 15' ' ' VAL . 5.6 m170 -107.01 24.49 12.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 71.349999999999994 110.902 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 m -125.86 45.06 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 62.439999999999998 110.885 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.36 -44.71 72.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 71.519999999999996 111.12 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.5 t -55.2 -43.01 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 65.010000000000005 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 -67.59 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 65.120000000000005 111.17 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.1 pp -51.79 -33.81 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 65.129999999999995 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' N ' HD12 ' A' ' 22' ' ' LEU . 86.1 t60 -62.33 -64.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.450000000000003 110.859 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -51.05 59.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 45.43 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.419 HG23 ' HA ' ' A' ' 30' ' ' LYS . 66.8 mt -53.24 -65.99 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 71.049999999999997 111.15 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.34 -29.67 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.106 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.11 -75.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 64.329999999999998 110.919 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -152.76 33.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 63.149999999999999 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.38 -178.31 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 61.130000000000003 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HA ' HG23 ' A' ' 25' ' ' ILE . 42.6 mtmt -125.58 -38.59 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 63.25 110.905 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.84 -176.7 14.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.679 -0.772 . . . . 74.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.12 152.32 22.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 72.439999999999998 112.479 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -145.46 -179.98 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 53.140000000000001 110.818 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.9 p -129.08 130.72 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 72.299999999999997 110.887 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -146.94 140.66 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.881 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.3 m120 54.07 38.23 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.886 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.76 18.49 61.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 52.229999999999997 112.49 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 36' ' ' ASN . 38.3 t -121.66 147.08 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 75.230000000000004 111.159 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 37.8 t -85.2 106.98 17.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 53.450000000000003 110.878 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.07 138.42 23.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 54.530000000000001 111.125 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -97.66 132.29 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -99.21 117.55 33.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 61.32 110.845 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -102.92 -35.56 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 71.420000000000002 110.928 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 12.44 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.898 0.38 . . . . 65.530000000000001 111.095 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -127.86 -56.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.5 111.156 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.45 49.65 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 75.439999999999998 110.902 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.14 -33.3 39.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 65.040000000000006 110.884 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 5' ' ' VAL . 2.6 p -60.13 97.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 111.132 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 pp -118.42 27.65 8.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 54.399999999999999 110.919 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.18 178.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 54.439999999999998 110.835 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -112.33 88.55 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 75.519999999999996 110.902 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -166.34 122.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 110.86 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.94 92.77 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.076 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 175.59 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.884 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.72 33.69 6.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 61.219999999999999 112.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mp -122.52 -36.61 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 50.219999999999999 111.17 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.68 155.03 39.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.409999999999997 111.068 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.88 148.06 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.106 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -155.5 120.88 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.931 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -108.63 77.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.040000000000006 110.869 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -109.47 103.72 12.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.843 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.98 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 75.230000000000004 111.163 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.6 t -54.63 -35.55 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 45.240000000000002 110.871 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.0 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.319999999999993 111.106 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.87 -35.09 43.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.200000000000003 110.941 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -62.87 -58.67 6.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 110.885 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -49.64 67.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.409999999999997 110.899 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.5 mt -54.7 -61.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 63.340000000000003 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.0 -30.04 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.519999999999996 111.147 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.64 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 42.140000000000001 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -163.18 33.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.892 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -132.68 -179.01 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 61.439999999999998 110.909 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -118.13 -46.47 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.861 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.08 178.5 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 41.399999999999999 112.516 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 159.96 28.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 43.109999999999999 112.512 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -160.1 180.0 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 70.25 110.861 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.2 m -138.62 146.74 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 64.310000000000002 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -152.46 130.1 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.899 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 38' ' ' VAL . 87.5 m-20 55.93 43.75 26.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.109999999999999 110.92 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.19 16.61 58.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 50.100000000000001 112.487 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 36' ' ' ASN . 61.7 t -118.64 134.9 60.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 65.430000000000007 111.122 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -74.86 117.52 16.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.865 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.93 125.58 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 60.530000000000001 111.161 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 m -86.75 143.73 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 64.209999999999994 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -133.67 144.94 49.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 71.530000000000001 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -90.56 85.98 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.923 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 32.140000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 51.130000000000003 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 m -87.31 -27.91 22.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.530000000000001 111.135 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.481 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.6 t -97.32 34.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 72.120000000000005 110.9 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -58.21 -22.63 52.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.32 -9.76 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 72.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 3' ' ' CYS . 4.5 pp -51.59 152.4 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 70.140000000000001 110.926 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.9 m -145.74 -175.88 4.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.519999999999996 110.854 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -77.84 -74.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.2 -74.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 75.319999999999993 110.91 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.36 48.75 18.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 73.310000000000002 111.089 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -92.7 95.69 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 110.934 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 91.24 32.34 8.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 62.009999999999998 112.487 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -100.32 134.34 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 62.299999999999997 111.118 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.93 104.48 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 111.116 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 17' ' ' HIS . 21.8 t -123.99 135.29 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 111.149 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.82 27.32 3.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 72.120000000000005 110.889 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.406 ' H ' HG12 ' A' ' 15' ' ' VAL . 74.5 m-70 -95.23 48.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 41.420000000000002 110.866 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 p -160.2 102.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.847 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.63 -42.87 50.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.349999999999994 111.122 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.8 p -55.93 -39.14 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.869 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -70.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 55.340000000000003 111.052 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -52.01 -34.95 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 74.010000000000005 110.897 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -63.1 -60.01 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.868 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.81 -43.81 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 110.856 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.464 HG23 ' HA ' ' A' ' 30' ' ' LYS . 40.1 mt -59.02 -68.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.105 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.9 -29.99 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.040000000000006 111.102 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -69.69 -76.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.891 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -152.16 48.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 72.099999999999994 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 179.55 8.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.510000000000005 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.3 mmpt? -131.63 -54.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 110.891 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.11 -178.35 22.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 73.129999999999995 112.483 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.93 160.93 34.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 65.200000000000003 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 t -157.18 170.37 22.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.407 . . . . 73.109999999999999 110.833 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.3 m -108.52 136.93 47.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 74.010000000000005 110.884 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -124.73 109.92 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 52.43 110.915 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 53.42 28.48 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.010000000000005 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.91 18.25 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 72.230000000000004 112.471 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -116.35 131.56 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.329999999999998 111.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.6 t -76.43 105.75 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 35.409999999999997 110.835 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.87 122.25 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.230000000000004 111.085 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.5 p -87.86 159.82 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 65.25 110.883 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -153.27 161.57 42.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.230000000000004 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -91.68 -38.38 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 73.329999999999998 110.877 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 40.520000000000003 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.929 0.395 . . . . 72.349999999999994 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 m -130.74 -39.49 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 51.539999999999999 111.11 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -98.75 35.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.519999999999996 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -112.98 25.44 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 73.25 110.833 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 5' ' ' VAL . 6.6 p -105.72 23.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.310000000000002 111.16 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -56.99 173.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 62.539999999999999 110.944 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 p -73.7 82.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 54.340000000000003 110.875 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -167.43 138.24 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.129999999999995 110.844 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 56.68 27.86 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 72.340000000000003 110.898 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.83 78.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 55.130000000000003 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.56 91.23 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 61.539999999999999 110.891 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.92 -23.19 36.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 72.109999999999999 112.507 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 mm -80.04 148.04 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 73.409999999999997 111.14 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.2 128.91 34.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 111.162 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 m -81.07 164.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 111.156 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.88 88.85 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 62.149999999999999 110.907 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -65.13 153.29 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.816 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -91.51 122.84 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.439999999999998 110.84 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.51 -31.1 33.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 73.450000000000003 111.09 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 t -55.89 -49.89 72.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.349999999999994 110.906 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.42 -61.46 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.450000000000003 111.097 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.44 -37.82 57.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 75.310000000000002 110.903 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -59.96 -61.49 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.109999999999999 110.842 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.97 -50.24 61.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 62.439999999999998 110.851 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.2 mt -53.53 -63.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 54.240000000000002 111.14 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.1 -29.93 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 111.138 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -71.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 53.310000000000002 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.02 32.15 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -130.43 -179.81 5.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 64.109999999999999 110.86 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -128.84 -39.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.904 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.79 165.46 12.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 52.539999999999999 112.509 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -155.78 151.33 22.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 44.109999999999999 112.483 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 t -160.78 -179.98 8.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 70.239999999999995 110.854 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 p -128.21 159.73 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 75.150000000000006 110.904 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -172.74 141.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.420000000000002 110.921 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 38' ' ' VAL . 21.0 m120 53.2 41.89 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 62.109999999999999 110.942 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 18.54 46.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 74.450000000000003 112.458 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 36' ' ' ASN . 57.6 t -130.1 140.65 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.377 . . . . 51.549999999999997 111.132 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.0 p -74.33 130.57 39.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 73.439999999999998 110.834 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -123.88 150.71 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 111.094 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -101.47 156.58 17.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.299999999999997 110.892 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -155.44 163.15 40.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.230000000000004 110.827 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -116.13 -27.56 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.881 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 75.230000000000004 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.902 0.382 . . . . 74.239999999999995 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 t -138.58 158.89 43.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 111.152 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -111.22 40.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 64.209999999999994 110.862 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -118.97 91.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.310000000000002 110.849 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.53 67.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 111.094 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -125.77 83.02 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.932 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.3 m -113.94 26.38 10.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 64.129999999999995 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -107.28 -28.8 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.841 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -77.22 61.98 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 60.130000000000003 110.853 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.88 67.59 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 64.019999999999996 111.086 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -131.18 53.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 72.219999999999999 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.84 23.1 43.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 63.240000000000002 112.503 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.41 143.62 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 70.310000000000002 111.151 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.97 83.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.200000000000003 111.096 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -143.56 135.76 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 75.400000000000006 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -131.13 66.85 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 55.509999999999998 110.898 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -126.2 26.02 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 65.219999999999999 110.851 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.8 p -125.26 27.71 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.881 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.38 -45.02 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 54.140000000000001 111.104 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.5 t -54.53 -44.35 72.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 75.200000000000003 110.872 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -70.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 111.126 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 23' ' ' HIS . 3.3 pp -51.71 -31.04 24.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.209999999999994 110.926 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' N ' HD12 ' A' ' 22' ' ' LEU . 86.3 t60 -63.22 -61.92 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 110.851 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -41.93 76.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.519999999999996 110.873 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.624 HG23 ' HA ' ' A' ' 30' ' ' LYS . 39.8 mt -58.1 -66.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.530000000000001 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.86 60.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.140000000000001 111.091 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.42 -73.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.120000000000005 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -155.52 42.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 75.540000000000006 110.839 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.7 -169.88 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.93 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' HA ' HG23 ' A' ' 25' ' ' ILE . 8.1 mmpt? -136.82 -41.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 71.310000000000002 110.857 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.5 169.72 19.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 54.210000000000001 112.492 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.06 153.63 23.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 71.219999999999999 112.487 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -153.48 -179.65 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 75.120000000000005 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 t -104.84 116.52 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 64.349999999999994 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.69 126.01 51.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 70.129999999999995 110.943 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.1 m120 55.56 26.1 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.912 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.03 23.17 57.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 64.439999999999998 112.496 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.4 t -135.53 134.84 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.851 0.358 . . . . 74.319999999999993 111.153 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 t -65.1 105.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.430000000000007 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.25 138.62 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 111.141 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.4 m -92.61 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -137.63 146.44 43.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -89.8 76.15 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 110.848 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 51.43 . . . . . . . . . . 0 0 . 1 stop_ save_