data_2m3e_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 2m3e _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.341 . . . . 74.420000000000002 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 22.7 p90 -53.86 -23.24 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.200000000000003 110.914 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.41 -42.4 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 70.310000000000002 110.914 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 74.519999999999996 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 7.2 p -74.5 -33.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 111.111 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 14.0 tp -75.27 -36.62 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 74.349999999999994 110.849 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -72.18 -30.03 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.299999999999997 110.817 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -74.7 -39.84 39.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 70.340000000000003 112.433 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 35.1 pt -72.93 -30.62 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 73.150000000000006 111.147 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.37 -34.19 55.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 65.420000000000002 112.454 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.78 -33.95 57.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 75.129999999999995 112.489 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.37 -40.5 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 74.25 110.884 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.89 -37.88 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 73.439999999999998 110.91 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.2 -26.08 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 65.150000000000006 110.911 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.72 -37.64 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 71.209999999999994 110.899 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.74 -34.65 62.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 73.510000000000005 110.861 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -34.7 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 75.120000000000005 110.969 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 18.2 mt -71.3 -33.16 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 111.091 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.22 -38.64 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 110.845 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.5 mt -76.87 -34.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 111.106 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 15.5 t -71.17 -30.03 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 75.25 111.138 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.7 mt -83.57 -29.62 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.91 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -20.35 37.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.902 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.23 -40.49 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 74.209999999999994 110.875 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 111.124 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 75.099999999999994 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 37.6 p90 -52.63 -24.44 8.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 74.450000000000003 110.887 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.19 -41.18 28.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 73.420000000000002 110.961 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -35.36 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.907 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 8.0 p -74.28 -33.03 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 74.310000000000002 111.123 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.3 tp -75.31 -35.99 61.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 74.439999999999998 110.917 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 26.6 t -73.99 -28.1 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.6 -38.25 32.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 73.129999999999995 112.5 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.31 -31.5 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 75.239999999999995 111.145 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.98 -33.82 54.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 73.150000000000006 112.485 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.04 -33.1 55.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 73.340000000000003 112.547 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.3 mt -72.47 -38.58 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 73.400000000000006 110.921 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.95 -37.48 78.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.897 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.98 -25.89 60.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 73.420000000000002 110.912 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -37.26 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 71.030000000000001 110.925 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -35.09 62.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.209999999999994 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -34.38 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 63.119999999999997 110.908 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.15 -32.26 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.400000000000006 111.158 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -74.25 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.925 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.4 mt -76.52 -36.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 71.209999999999994 111.138 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 18.0 t -68.93 -31.97 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 63.530000000000001 111.156 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.97 -32.06 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -17.31 55.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.109999999999999 110.925 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.6 pttp -103.26 -16.86 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 110.887 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 64.319999999999993 111.138 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 73.439999999999998 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 19.0 p90 -57.99 -20.03 35.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 110.884 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.83 -46.89 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.430000000000007 110.945 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -33.99 75.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 75.140000000000001 110.83 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 6.2 p -74.89 -32.49 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 111.119 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.67 -36.56 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.907 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 10.6 t -72.51 -29.65 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -74.85 -39.55 38.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 74.349999999999994 112.446 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 38.5 pt -72.93 -30.83 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 73.209999999999994 111.147 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.22 -34.37 55.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 75.230000000000004 112.481 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.87 -33.73 57.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 74.329999999999998 112.495 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.2 -40.4 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 73.049999999999997 110.866 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.72 -38.13 86.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.974 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.25 -25.76 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 71.230000000000004 110.827 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.6 tp -75.96 -37.53 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.420000000000002 110.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.6 tp -74.49 -35.02 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.140000000000001 110.918 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.66 -34.58 52.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 110.941 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 19.0 mt -71.53 -32.6 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 71.209999999999994 111.158 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 72.200000000000003 110.876 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.9 mt -76.64 -34.07 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.209999999999994 111.187 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 2.6 t -71.64 -30.6 39.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 60.340000000000003 111.186 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.93 -28.51 29.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.400000000000006 110.891 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -19.86 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.951 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -88.83 -38.9 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.97 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.010000000000005 111.129 179.848 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.420000000000002 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 33.3 p90 -51.82 -28.78 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.968 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.87 -40.33 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.959 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -42.0 84.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 12.6 p -69.51 -33.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 73.450000000000003 111.132 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.7 tp -74.42 -37.12 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 74.340000000000003 110.966 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.0 t -72.53 -28.23 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 74.150000000000006 110.917 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.68 32.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 73.209999999999994 112.537 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 31.4 pt -74.41 -30.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 74.329999999999998 111.193 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.15 50.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 73.230000000000004 112.528 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.02 54.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 71.239999999999995 112.506 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 -38.37 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 73.549999999999997 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.43 -38.34 77.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.420000000000002 110.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.7 -26.18 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.349999999999994 110.929 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.53 -38.68 62.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 110.947 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.3 -37.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 64.200000000000003 110.93 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -33.79 59.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.884 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.9 mt -69.17 -36.43 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 75.450000000000003 111.108 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.49 -37.04 68.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 73.439999999999998 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.8 mm -74.56 -38.26 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 111.13 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 40.7 t -68.4 -31.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 111.128 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.25 -46.45 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 110.975 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -14.97 62.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 75.219999999999999 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 75.8 mttt -89.75 -27.46 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 73.540000000000006 110.949 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 73.420000000000002 111.163 179.821 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.838 0.351 . . . . 73.540000000000006 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.2 p90 -51.76 -25.33 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 63.409999999999997 110.935 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.89 -39.38 43.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 75.200000000000003 110.918 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.13 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.409999999999997 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 12.6 p -72.93 -33.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.216 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.4 tp -75.19 -36.61 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.310000000000002 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 53.8 p -73.29 -27.8 61.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.120000000000005 110.881 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.73 -39.12 29.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 75.239999999999995 112.551 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.49 -31.21 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 71.239999999999995 111.1 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.98 52.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 73.239999999999995 112.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.96 -33.8 56.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 70.010000000000005 112.538 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.45 -40.61 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 75.129999999999995 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.7 tp -68.16 -33.45 74.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 64.230000000000004 110.934 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -32.85 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.049999999999997 110.896 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -35.69 73.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.891 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -39.12 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 110.911 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -34.44 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 110.903 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.49 -33.44 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.040000000000006 111.177 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -74.73 -38.72 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.848 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.41 -36.09 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 71.329999999999998 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 32.1 t -70.23 -31.04 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 111.155 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 28.8 mt -83.36 -25.83 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 63.130000000000003 110.911 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -19.14 34.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 74.409999999999997 110.895 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -91.26 -31.96 15.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 110.931 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.11 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.819 0.342 . . . . 73.219999999999999 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 37.8 p90 -52.73 -24.79 9.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.917 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.61 -41.61 31.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 73.409999999999997 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.02 75.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.928 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 9.2 p -73.95 -32.79 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 111.091 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.31 -35.7 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 110.901 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 45.5 t -73.29 -29.48 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.46 -39.5 35.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 73.400000000000006 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 25.4 pt -73.25 -31.04 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 74.430000000000007 111.201 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -33.73 55.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 75.150000000000006 112.559 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.31 -33.59 56.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 43.329999999999998 112.528 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.18 -39.56 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 71.109999999999999 110.925 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.8 tp -67.82 -37.8 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.219999999999999 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.21 -27.08 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.921 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -38.05 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 75.329999999999998 110.986 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.44 -37.48 65.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.439999999999998 110.892 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -33.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.958 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.7 mt -69.15 -36.39 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 111.165 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -37.61 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 73.349999999999994 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -72.95 -36.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 111.123 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 14.7 t -72.07 -28.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.109999999999999 111.096 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.3 mt -82.41 -28.03 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -19.27 29.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.923 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.3 pttp -89.1 -32.2 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 75.420000000000002 110.907 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 71.129999999999995 111.07 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 62.520000000000003 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 34.9 p90 -51.71 -25.02 6.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.919 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -35.77 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 72.420000000000002 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 9.5 p -74.23 -32.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 71.530000000000001 111.16 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 13.2 tp -75.44 -35.69 60.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 75.439999999999998 110.878 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -73.58 -29.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 73.450000000000003 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.52 -39.11 36.11 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 61.399999999999999 112.505 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 26.6 pt -73.52 -31.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 73.310000000000002 111.193 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.83 -33.41 55.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 65.209999999999994 112.513 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.65 -33.77 55.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 72.030000000000001 112.468 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.06 -39.43 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 75.129999999999995 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.4 -37.39 80.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 70.329999999999998 110.931 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.93 -25.93 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.129999999999995 110.855 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -37.59 59.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 74.420000000000002 110.895 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.22 -35.52 63.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 74.400000000000006 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.41 -34.33 54.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.939 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.07 -31.8 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 111.137 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -74.95 -39.43 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.510000000000005 110.883 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 66.0 mt -75.93 -35.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.030000000000001 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 3.4 t -70.72 -32.09 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.400000000000006 111.153 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 20.7 mt -80.53 -28.76 37.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.968 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -16.84 40.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 110.842 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -93.66 -26.74 16.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 64.420000000000002 110.896 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 71.109999999999999 111.099 179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.893 0.378 . . . . 74.230000000000004 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 37.0 p90 -53.03 -25.66 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.400000000000006 110.908 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.5 -40.12 43.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 110.916 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -37.5 77.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.96 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 13.1 p -73.0 -32.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.129999999999995 111.108 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.9 tp -75.22 -35.95 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 73.540000000000006 110.93 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 35.7 t -73.52 -28.85 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 110.768 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.92 34.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 72.219999999999999 112.51 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 29.1 pt -73.76 -31.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 73.219999999999999 111.119 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.11 -34.46 52.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 71.420000000000002 112.404 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.72 57.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 71.219999999999999 112.537 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.24 -40.46 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 63.329999999999998 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -34.59 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 64.420000000000002 110.867 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 3.4 mp -74.88 -27.72 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.937 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -39.04 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.219999999999999 110.889 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 20.7 tp -72.81 -37.34 67.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.439999999999998 110.884 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -33.22 59.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 110.917 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.57 -37.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 111.099 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.52 -37.0 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.310000000000002 110.802 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.8 -37.3 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 111.099 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 48.4 t -71.68 -28.56 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 71.019999999999996 111.15 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 16.0 mt -82.96 -26.81 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 72.230000000000004 110.93 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -19.19 30.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 75.25 110.931 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.66 -32.47 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 74.540000000000006 110.929 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 111.116 179.83 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.826 0.346 . . . . 73.329999999999998 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 26.3 p90 -52.62 -24.56 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 110.98 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.6 mt -79.06 -41.67 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.537 . . . . 74.340000000000003 110.937 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -35.51 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 8.4 p -74.09 -33.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.125 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.19 -35.9 61.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.952 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.8 t -73.6 -28.85 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.310000000000002 110.82 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.94 34.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 44.32 112.446 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 30.1 pt -73.6 -31.46 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 73.319999999999993 111.103 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.13 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 62.509999999999998 112.523 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.82 -32.78 56.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.794 -0.717 . . . . 73.140000000000001 112.478 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.39 -38.96 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 74.340000000000003 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.16 -38.81 82.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.897 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.7 mp -72.78 -26.71 61.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.973 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.38 -38.23 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.912 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -37.44 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.420000000000002 110.89 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.16 -33.71 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 65.219999999999999 110.932 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.6 mt -68.71 -36.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.219999999999999 111.199 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.03 -36.88 67.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 73.219999999999999 110.866 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.8 mm -74.57 -36.26 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 111.209 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 40.9 t -73.03 -27.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.200000000000003 111.086 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.87 -32.48 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.099999999999994 110.89 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -14.53 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.200000000000003 110.946 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -98.23 -24.87 15.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 74.420000000000002 110.933 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 111.115 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 71.530000000000001 110.988 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.1 p90 -52.05 -27.59 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.450000000000003 110.939 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.34 -40.2 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -40.77 85.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 65.150000000000006 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 10.7 p -69.62 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 111.1 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.13 -36.93 64.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 22.1 t -72.99 -28.18 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 72.129999999999995 110.837 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.51 33.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 73.230000000000004 112.41 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.03 -31.06 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 74.019999999999996 111.073 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.77 -34.87 52.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 62.039999999999999 112.514 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.66 -32.7 57.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 50.5 112.473 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.03 -39.27 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 73.319999999999993 110.966 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.79 -38.81 83.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 73.519999999999996 110.89 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.69 -26.17 61.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.540000000000006 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.35 -38.96 59.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.923 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.36 -34.81 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.099999999999994 110.923 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -34.3 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.539999999999999 110.875 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.87 -35.35 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.137 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -73.02 -38.19 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.829 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.79 -35.69 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 63.310000000000002 111.167 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 13.3 t -67.65 -33.19 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 111.114 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 47.0 mt -81.3 -33.14 32.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.010000000000005 110.955 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -19.91 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 110.941 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 pttt -95.53 -26.7 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 73.540000000000006 110.89 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 111.207 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.851 0.358 . . . . 72.25 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.1 p90 -51.87 -28.34 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.230000000000004 110.93 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.66 -50.46 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 73.430000000000007 110.98 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -33.93 77.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.89 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 2.5 t -73.42 -35.67 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 111.149 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.17 -35.49 64.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.913 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 32.1 t -73.76 -28.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 110.883 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.49 -38.88 31.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 63.409999999999997 112.525 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.5 pt -73.7 -31.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 73.450000000000003 111.146 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.1 53.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.692 -0.766 . . . . 75.150000000000006 112.5 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.75 -32.63 56.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 53.439999999999998 112.464 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.17 -39.87 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 74.510000000000005 110.914 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.34 -38.76 85.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 70.450000000000003 110.879 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.35 -25.66 60.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.230000000000004 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.6 tt -76.51 -36.57 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.907 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.0 mt -75.36 -35.22 61.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 74.510000000000005 110.913 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.7 55.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.981 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.8 -33.49 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 111.129 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -73.33 -38.84 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.7 mt -76.47 -35.43 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 74.129999999999995 111.168 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 15.1 t -69.2 -29.88 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 73.549999999999997 111.153 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 64.9 mt -84.49 -30.71 24.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.420000000000002 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -17.25 53.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -102.2 -23.9 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 63.25 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 111.12 179.849 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.814 0.34 . . . . 71.319999999999993 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 36.6 p90 -52.1 -25.51 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.909 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.04 -40.33 39.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 63.439999999999998 110.917 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -36.28 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.92 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 10.7 p -73.99 -32.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 111.129 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.29 -36.1 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 12.1 t -74.25 -28.08 61.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.72 -37.54 34.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 74.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 29.7 pt -74.88 -31.68 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 74.030000000000001 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.85 -33.25 51.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 74.549999999999997 112.433 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.8 -32.24 54.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 71.450000000000003 112.477 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.45 -38.54 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 75.030000000000001 110.918 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.74 -36.33 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 73.540000000000006 110.918 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.84 -26.79 59.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 110.877 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -38.44 63.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 75.209999999999994 110.951 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.23 -37.26 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 74.450000000000003 110.925 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -33.52 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.409999999999997 110.955 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.6 mt -69.18 -36.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 74.540000000000006 111.05 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.63 -37.06 68.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.866 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.39 -38.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 111.104 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 42.3 t -69.59 -30.04 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 111.158 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 50.6 mt -78.91 -42.31 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 75.519999999999996 110.97 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -14.54 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -99.39 -20.61 16.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 74.329999999999998 110.874 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.310000000000002 111.173 179.831 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.337 . . . . 74.040000000000006 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.0 p90 -51.81 -27.79 13.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.5 -40.2 57.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 75.209999999999994 110.995 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -40.44 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.3 p -70.13 -33.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 75.430000000000007 111.152 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 13.6 tp -74.44 -36.45 63.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.450000000000003 110.899 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 79.0 p -72.83 -29.01 62.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 73.140000000000001 110.821 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.67 -39.33 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 71.040000000000006 112.487 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.61 -30.89 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 75.340000000000003 111.089 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.73 53.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 65.219999999999999 112.479 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.08 -33.53 56.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 75.340000000000003 112.453 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.49 -39.64 70.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 75.519999999999996 110.846 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.02 -38.97 86.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 74.150000000000006 110.946 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.72 -25.98 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.430000000000007 110.92 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.6 tt -76.32 -36.8 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.450000000000003 110.862 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 15.1 mt -74.94 -35.17 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 74.430000000000007 110.938 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -34.64 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.964 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 18.8 mt -71.94 -33.0 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 75.120000000000005 111.075 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.06 -38.66 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.795 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 73.7 mt -76.93 -35.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 71.430000000000007 111.108 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 16.3 t -70.29 -29.7 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.150000000000006 111.158 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 54.6 mt -84.71 -28.81 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -17.43 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 75.010000000000005 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -100.38 -26.31 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 74.329999999999998 110.896 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.450000000000003 111.12 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 74.040000000000006 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 30.9 p90 -53.34 -23.73 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.319999999999993 110.955 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.3 mt -78.51 -40.28 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 71.519999999999996 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -37.4 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 74.540000000000006 110.9 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 14.1 p -72.68 -33.96 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 75.010000000000005 111.124 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 13.7 tp -74.27 -35.65 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.958 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.9 t -74.1 -28.04 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.77 -38.1 32.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 72.5 112.485 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 25.6 pt -74.69 -31.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.373 . . . . 75.400000000000006 111.168 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.13 -33.6 53.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 65.439999999999998 112.493 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.42 -32.71 54.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 75.430000000000007 112.466 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.99 -38.49 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 63.450000000000003 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.38 -37.85 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.934 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.09 -25.5 59.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 71.519999999999996 110.952 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.9 -37.86 58.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.010000000000005 110.904 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 51.2 tp -74.47 -35.22 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.230000000000004 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -34.23 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.420000000000002 110.944 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.65 -33.7 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.510000000000005 111.148 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -39.16 65.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.230000000000004 110.861 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.86 -36.47 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 70.409999999999997 111.14 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 14.5 t -67.75 -31.77 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 73.230000000000004 111.125 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 39.8 mt -82.0 -33.33 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.099999999999994 110.878 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -17.7 59.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 -17.23 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.85 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 75.209999999999994 111.144 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 74.150000000000006 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.6 p90 -52.43 -25.96 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.937 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.31 -39.73 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.049999999999997 110.968 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -38.07 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.96 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 14.9 p -72.17 -33.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 75.329999999999998 111.158 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.9 -36.32 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 75.540000000000006 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -27.86 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.72 -38.17 32.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 70.230000000000004 112.551 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.8 pt -74.48 -31.49 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 64.239999999999995 111.181 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.67 -33.46 51.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 72.239999999999995 112.465 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.59 54.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.735 . . . . 63.020000000000003 112.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.23 -38.8 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.319999999999993 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.56 -36.36 76.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 73.140000000000001 110.92 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.72 -26.42 59.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.919 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -38.68 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.931 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -37.43 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.924 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.79 -33.63 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 75.120000000000005 110.944 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.3 mt -69.09 -37.09 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.219999999999999 111.144 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.73 -37.14 70.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 74.230000000000004 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 5.2 mm -73.98 -38.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 111.157 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 45.0 t -68.1 -31.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.5 111.17 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.59 -46.49 38.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 75.109999999999999 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -14.49 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 75.049999999999997 110.926 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -90.04 -26.71 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 64.219999999999999 110.94 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.054 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.863 0.363 . . . . 75.439999999999998 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 37.3 p90 -52.49 -25.57 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 70.109999999999999 110.929 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.1 mt -77.67 -40.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.510000000000005 110.909 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -37.42 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 110.985 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.8 p -72.88 -32.84 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 74.340000000000003 111.069 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.2 tp -75.3 -36.25 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 73.219999999999999 110.839 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 54.7 p -73.64 -28.25 61.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.409999999999997 110.814 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.51 -38.2 33.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 61.32 112.552 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 30.7 pt -74.33 -31.14 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 75.049999999999997 111.157 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.55 -33.6 51.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.742 -0.742 . . . . 75.099999999999994 112.497 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.37 53.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 64.109999999999999 112.451 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.25 -38.42 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 63.310000000000002 110.94 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -37.59 76.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 65.329999999999998 110.935 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.6 mp -74.57 -25.05 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 75.430000000000007 110.944 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.34 -37.47 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 71.329999999999998 110.924 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.1 -35.01 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 74.540000000000006 110.89 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -34.3 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.349999999999994 110.939 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 15.8 mt -71.66 -33.38 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 70.409999999999997 111.137 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -38.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 72.140000000000001 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.2 mt -76.37 -35.96 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 111.107 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 14.2 t -67.6 -33.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 62.530000000000001 111.103 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 45.3 mt -80.54 -34.73 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.540000000000006 110.945 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -17.16 60.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 27.5 pttt -104.24 -16.6 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 64.530000000000001 110.938 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.141 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.85 0.357 . . . . 73.200000000000003 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 25.7 p90 -52.12 -24.49 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 110.934 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.79 -40.78 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 74.340000000000003 110.996 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -35.94 75.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 110.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 10.6 p -73.81 -33.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 73.230000000000004 111.054 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.95 -36.6 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 4.0 p -72.22 -29.47 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 60.240000000000002 110.88 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.17 -39.61 36.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 54.310000000000002 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 36.7 pt -73.07 -30.69 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 74.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.55 -34.96 52.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 73.010000000000005 112.549 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.88 58.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.668 -0.777 . . . . 53.219999999999999 112.436 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.3 mt -71.69 -40.18 69.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 74.030000000000001 110.874 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.13 -38.59 85.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 110.84 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.82 -26.24 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.230000000000004 110.904 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 4.2 tt -75.51 -37.21 60.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 70.200000000000003 110.913 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.85 -34.86 62.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.949 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.84 -34.26 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 72.349999999999994 110.949 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 18.3 mt -71.55 -33.2 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.128 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -38.62 62.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.82 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.3 mt -76.61 -33.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 71.519999999999996 111.131 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 13.3 t -71.58 -30.56 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.319999999999993 111.159 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.11 -29.08 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 71.230000000000004 110.899 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -19.6 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 72.219999999999999 110.869 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -88.83 -39.39 13.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 75.519999999999996 110.952 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 71.420000000000002 111.124 179.865 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.826 0.346 . . . . 75.239999999999995 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.6 p90 -53.87 -24.97 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.450000000000003 110.931 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.2 -41.12 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 73.129999999999995 110.937 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -36.94 77.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.949 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.1 p -73.15 -33.18 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.519999999999996 111.101 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 11.9 tp -75.18 -35.59 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.92 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.9 t -73.5 -29.01 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.109999999999999 110.887 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.44 33.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 74.329999999999998 112.469 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 24.3 pt -73.47 -31.84 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 71.019999999999996 111.137 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.94 -32.66 56.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 72.120000000000005 112.49 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.59 -32.51 54.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 73.310000000000002 112.532 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.99 -39.76 65.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 75.420000000000002 110.941 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.27 -36.86 77.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.963 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.9 mp -74.55 -26.06 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.899 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.2 tt -74.7 -38.56 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 75.5 110.836 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 46.6 mt -72.75 -37.68 67.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.942 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -35.08 60.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.959 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.85 -37.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.019999999999996 111.161 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -70.5 -38.15 74.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.299999999999997 110.85 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 92.3 mt -77.67 -28.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.040000000000006 111.072 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 3.5 t -70.95 -38.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 75.030000000000001 111.167 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.72 -30.7 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 110.912 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -17.03 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 73.310000000000002 110.969 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 32.0 mttp -93.46 -26.09 17.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 75.450000000000003 110.866 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.519999999999996 111.161 179.865 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 75.040000000000006 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.9 p90 -52.24 -25.64 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 72.150000000000006 110.861 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.95 -40.43 47.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -38.25 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 73.049999999999997 110.893 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 13.8 p -72.16 -32.89 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 75.219999999999999 111.114 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.75 -38.01 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 73.329999999999998 110.962 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 40.6 t -72.98 -25.96 61.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 64.129999999999995 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -78.92 -37.26 26.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 74.319999999999993 112.487 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.8 pt -76.29 -31.05 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 74.430000000000007 111.115 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -80.71 -34.73 27.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 72.5 112.512 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -77.03 -30.35 55.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 73.420000000000002 112.529 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.15 -35.59 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.530000000000001 110.976 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.9 -33.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 64.0 110.95 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.73 -27.64 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.886 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.63 -37.37 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.91 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.88 -35.17 62.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.943 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -33.83 52.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.859 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.54 -33.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.209999999999994 111.096 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -38.81 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 75.409999999999997 110.858 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 68.5 mt -75.76 -35.5 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.129999999999995 111.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 23.6 t -71.19 -30.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 111.088 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 37.0 mt -82.58 -27.85 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.409999999999997 110.944 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -17.01 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 75.219999999999999 110.936 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.7 pttm -94.1 -27.18 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.409999999999997 110.865 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 75.040000000000006 111.174 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 72.129999999999995 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 32.9 p90 -53.56 -23.8 11.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.983 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.39 -42.4 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 74.540000000000006 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -35.05 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 110.896 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 7.4 p -74.49 -32.89 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.25 111.141 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 17.6 tp -75.73 -34.82 60.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.951 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 2.0 t -74.07 -29.49 61.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.857 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.44 -39.1 36.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 63.32 112.475 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 27.5 pt -73.36 -31.23 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 74.319999999999993 111.1 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.4 -34.11 55.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 64.030000000000001 112.446 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.47 -33.41 56.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.693 -0.765 . . . . 74.120000000000005 112.517 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.06 -38.59 69.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 62.43 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.37 -39.12 85.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.911 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.53 -27.55 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 110.873 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 18.2 tp -73.63 -37.86 65.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 75.299999999999997 110.963 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1080 ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' 1084 ' ' ILE . 65.7 mt -71.13 -43.58 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 110.922 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -34.71 72.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 74.319999999999993 110.839 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.43 -31.85 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.439999999999998 111.138 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -41.68 69.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.219999999999999 110.85 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1084 ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' 1080 ' ' LEU . 5.2 mm -74.6 -34.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.040000000000006 111.18 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 32.3 t -69.72 -28.84 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.155 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 29.9 mt -85.27 -30.87 23.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 75.549999999999997 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -13.75 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.901 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -101.71 -28.16 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 75.420000000000002 110.921 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 71.319999999999993 111.181 179.769 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.939 0.4 . . . . 73.340000000000003 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -99.15 105.25 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -85.63 -175.41 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 75.120000000000005 111.104 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.14 51.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.430000000000007 110.889 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 10.5 p -113.44 -27.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 75.109999999999999 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 41.1 t -65.79 -25.55 36.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 111.114 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -101.3 -22.71 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.931 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.26 -75.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 64.019999999999996 110.923 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -171.22 93.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.530000000000001 110.878 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -18.75 53.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.239999999999995 110.889 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 5.9 mtt 57.34 22.45 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 110.807 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.27 -30.27 25.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 74.420000000000002 110.87 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 22.7 p90 -53.86 -23.24 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.200000000000003 110.914 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.41 -42.4 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 70.310000000000002 110.914 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 74.519999999999996 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 7.2 p -74.5 -33.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 111.111 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 14.0 tp -75.27 -36.62 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 74.349999999999994 110.849 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -72.18 -30.03 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.299999999999997 110.817 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -74.7 -39.84 39.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 70.340000000000003 112.433 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 35.1 pt -72.93 -30.62 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 73.150000000000006 111.147 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.37 -34.19 55.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 65.420000000000002 112.454 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.78 -33.95 57.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 75.129999999999995 112.489 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.37 -40.5 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 74.25 110.884 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.89 -37.88 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 73.439999999999998 110.91 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.2 -26.08 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 65.150000000000006 110.911 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.72 -37.64 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 71.209999999999994 110.899 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.74 -34.65 62.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 73.510000000000005 110.861 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -34.7 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 75.120000000000005 110.969 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 18.2 mt -71.3 -33.16 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 111.091 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.22 -38.64 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 110.845 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.5 mt -76.87 -34.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 111.106 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 15.5 t -71.17 -30.03 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 75.25 111.138 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.7 mt -83.57 -29.62 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.91 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -20.35 37.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.902 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.23 -40.49 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 74.209999999999994 110.875 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 29.2 m -68.11 -29.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 111.124 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 122.39 -10.96 9.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.439999999999998 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 73.299999999999997 110.814 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -77.85 -3.96 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 65.420000000000002 110.88 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.9 tttp -81.13 -0.47 40.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 75.209999999999994 110.874 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -119.65 45.99 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 73.400000000000006 110.853 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -174.03 152.81 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.919 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 3.6 tt -89.81 91.15 8.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 75.010000000000005 110.966 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.14 165.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.938 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -113.31 -31.71 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 64.430000000000007 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? 57.33 48.69 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 110.833 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 11.4 ptm -65.77 169.15 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.894 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.32 99.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.099999999999994 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -76.1 152.77 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 70.25 111.05 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.14 -0.811 . . . . 72.409999999999997 112.491 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.844 0.354 . . . . 65.340000000000003 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.66 86.93 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.120000000000005 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -98.61 34.17 2.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.151 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 63.5 29.07 15.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.030000000000001 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 2.6 p -179.68 100.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 111.185 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 40.2 t -136.4 -41.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 75.510000000000005 111.214 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -114.23 177.63 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.868 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -54.01 146.22 14.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 62.200000000000003 110.914 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 54.56 91.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -59.89 -18.75 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.329999999999998 110.924 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.16 22.03 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 73.200000000000003 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 66.0 mt -77.68 -36.5 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 37.6 p90 -52.63 -24.44 8.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 74.450000000000003 110.887 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.19 -41.18 28.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 73.420000000000002 110.961 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -35.36 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.907 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 8.0 p -74.28 -33.03 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 74.310000000000002 111.123 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.3 tp -75.31 -35.99 61.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 74.439999999999998 110.917 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 26.6 t -73.99 -28.1 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.6 -38.25 32.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 73.129999999999995 112.5 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.31 -31.5 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 75.239999999999995 111.145 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.98 -33.82 54.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 73.150000000000006 112.485 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.04 -33.1 55.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 73.340000000000003 112.547 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.3 mt -72.47 -38.58 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 73.400000000000006 110.921 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.95 -37.48 78.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.897 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.98 -25.89 60.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 73.420000000000002 110.912 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.01 -37.26 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 71.030000000000001 110.925 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -35.09 62.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 75.209999999999994 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -34.38 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 63.119999999999997 110.908 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 18.6 mt -72.15 -32.26 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 73.400000000000006 111.158 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -74.25 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.925 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.4 mt -76.52 -36.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 71.209999999999994 111.138 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 18.0 t -68.93 -31.97 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 63.530000000000001 111.156 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.97 -32.06 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -17.31 55.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.109999999999999 110.925 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.6 pttp -103.26 -16.86 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.549999999999997 110.887 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t -87.15 -32.32 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 64.319999999999993 111.138 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.17 49.52 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 54.219999999999999 112.456 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -128.0 -63.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 75.209999999999994 110.88 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -74.13 -8.38 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 73.319999999999993 110.866 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.97 -174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.06 24.44 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 110.875 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -167.19 114.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.209999999999994 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.01 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.919 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 19.7 pttm -165.74 177.58 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.129999999999995 110.896 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.49 -62.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 74.430000000000007 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -151.96 116.17 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 37.8 mtt -115.71 41.22 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.439999999999998 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -107.8 -29.73 8.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 73.439999999999998 110.879 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -113.15 140.92 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 70.120000000000005 111.108 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.158 -0.801 . . . . 71.040000000000006 112.502 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.924 0.392 . . . . 73.340000000000003 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -92.13 64.77 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.894 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -136.43 178.04 7.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 71.310000000000002 111.073 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.96 85.84 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 8.1 p -117.37 -14.07 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 73.450000000000003 111.136 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 12.6 t -74.22 -6.28 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 111.104 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -101.84 -6.58 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 74.340000000000003 110.918 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -166.93 129.98 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 74.120000000000005 110.825 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 45.7 mmtt 44.08 76.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 74.239999999999995 110.912 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.41 -22.73 33.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 110.926 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.7 mtt 55.82 22.96 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 71.400000000000006 110.878 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.75 -21.65 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 73.439999999999998 110.851 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 19.0 p90 -57.99 -20.03 35.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 110.884 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.83 -46.89 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.430000000000007 110.945 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -33.99 75.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 75.140000000000001 110.83 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 6.2 p -74.89 -32.49 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 111.119 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.67 -36.56 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.907 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 10.6 t -72.51 -29.65 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -74.85 -39.55 38.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 74.349999999999994 112.446 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 38.5 pt -72.93 -30.83 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 73.209999999999994 111.147 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.22 -34.37 55.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 75.230000000000004 112.481 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.87 -33.73 57.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 74.329999999999998 112.495 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.2 -40.4 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 73.049999999999997 110.866 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.72 -38.13 86.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.974 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.25 -25.76 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 71.230000000000004 110.827 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.6 tp -75.96 -37.53 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.420000000000002 110.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.6 tp -74.49 -35.02 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.140000000000001 110.918 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.66 -34.58 52.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 110.941 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 19.0 mt -71.53 -32.6 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 71.209999999999994 111.158 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 72.200000000000003 110.876 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.9 mt -76.64 -34.07 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.209999999999994 111.187 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 2.6 t -71.64 -30.6 39.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 60.340000000000003 111.186 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.93 -28.51 29.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.400000000000006 110.891 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -19.86 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.951 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -88.83 -38.9 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.97 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 27.6 m -68.34 -32.65 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 75.010000000000005 111.129 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.8 -9.42 7.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 71.129999999999995 112.557 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.41 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 73.400000000000006 110.915 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.32 -21.06 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.239999999999995 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.5 tttm -51.73 103.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.911 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -133.63 -68.58 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 72.540000000000006 110.911 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -80.04 160.89 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.409999999999997 110.959 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.77 143.4 47.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 73.549999999999997 110.93 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -58.46 -177.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.010000000000005 110.929 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.9 tp10 62.68 37.88 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 65.340000000000003 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -97.13 30.85 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 74.329999999999998 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 9.0 ttt -161.43 164.13 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 74.439999999999998 110.879 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 61.5 44.72 9.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 62.229999999999997 110.961 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -107.35 91.2 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 73.329999999999998 111.082 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.161 -0.799 . . . . 54.420000000000002 112.52 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.874 0.369 . . . . 74.439999999999998 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -83.62 79.15 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 71.329999999999998 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -134.06 95.63 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 111.088 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.6 t0 63.4 55.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.878 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 4.3 m -120.55 69.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 74.430000000000007 111.151 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.4 t -131.79 -48.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 111.119 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.37 -45.71 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 110.904 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.66 -164.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.510000000000005 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -139.67 92.84 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -50.68 -23.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.5 mtt 61.2 18.48 9.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 73.109999999999999 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -34.06 20.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 74.420000000000002 110.882 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 33.3 p90 -51.82 -28.78 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.968 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.87 -40.33 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.959 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -42.0 84.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 12.6 p -69.51 -33.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 73.450000000000003 111.132 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.7 tp -74.42 -37.12 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 74.340000000000003 110.966 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.0 t -72.53 -28.23 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 74.150000000000006 110.917 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.68 32.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 73.209999999999994 112.537 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 31.4 pt -74.41 -30.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 74.329999999999998 111.193 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.15 50.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 73.230000000000004 112.528 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.02 54.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 71.239999999999995 112.506 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 -38.37 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 73.549999999999997 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.43 -38.34 77.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 75.420000000000002 110.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.7 -26.18 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.349999999999994 110.929 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.53 -38.68 62.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 110.947 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.3 -37.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 64.200000000000003 110.93 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.97 -33.79 59.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.884 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.9 mt -69.17 -36.43 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 75.450000000000003 111.108 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.49 -37.04 68.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 73.439999999999998 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.8 mm -74.56 -38.26 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 111.13 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 40.7 t -68.4 -31.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 111.128 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.25 -46.45 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 110.975 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -14.97 62.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 75.219999999999999 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 75.8 mttt -89.75 -27.46 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 73.540000000000006 110.949 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 33.5 m -91.21 -31.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 73.420000000000002 111.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 124.73 54.36 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.709 . . . . 61.520000000000003 112.456 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -125.7 -57.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.338 . . . . 74.310000000000002 110.82 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -90.36 11.69 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 64.230000000000004 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.9 tttp -82.72 0.86 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 72.400000000000006 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.65 -47.8 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 73.109999999999999 110.806 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -103.83 167.69 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 1.3 tt -92.2 154.49 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 67.0 mttt -52.5 164.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.947 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -122.24 -46.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.349999999999994 110.863 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -138.33 -175.43 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.310000000000002 110.943 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 30.6 mtt -146.15 139.87 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 73.400000000000006 110.901 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.9 56.08 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 55.109999999999999 110.883 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -91.72 138.4 31.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 CA-C-O 119.132 -0.816 . . . . 55.119999999999997 112.51 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.883 0.373 . . . . 73.040000000000006 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.69 132.08 33.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 75.409999999999997 110.826 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -98.26 25.92 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 64.209999999999994 111.105 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.18 90.3 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 64.010000000000005 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 28.4 t -132.38 71.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.349999999999994 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 93.5 t -67.9 -41.04 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 111.146 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -112.33 -176.19 2.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.892 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -113.62 22.77 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 62.130000000000003 110.913 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -79.08 -0.98 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 74.519999999999996 110.863 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -66.27 -11.4 50.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.230000000000004 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 37.4 mmt 57.06 29.33 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 72.209999999999994 110.843 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.12 -42.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 73.540000000000006 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.2 p90 -51.76 -25.33 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 63.409999999999997 110.935 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.89 -39.38 43.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 75.200000000000003 110.918 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.13 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.409999999999997 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 12.6 p -72.93 -33.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.216 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.4 tp -75.19 -36.61 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.310000000000002 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 53.8 p -73.29 -27.8 61.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.120000000000005 110.881 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.73 -39.12 29.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 75.239999999999995 112.551 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.49 -31.21 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 71.239999999999995 111.1 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.98 52.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 73.239999999999995 112.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.96 -33.8 56.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 70.010000000000005 112.538 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.45 -40.61 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 75.129999999999995 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.7 tp -68.16 -33.45 74.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 64.230000000000004 110.934 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.26 -32.85 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.049999999999997 110.896 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -35.69 73.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.891 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -39.12 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 110.911 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -34.44 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 110.903 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 33.9 mt -70.49 -33.44 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 75.040000000000006 111.177 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -74.73 -38.72 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.848 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.41 -36.09 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 71.329999999999998 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 32.1 t -70.23 -31.04 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 111.155 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 28.8 mt -83.36 -25.83 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 63.130000000000003 110.911 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -19.14 34.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 74.409999999999997 110.895 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -91.26 -31.96 15.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 110.931 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 27.2 m -75.85 -34.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.11 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 118.31 38.51 0.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 45.219999999999999 112.484 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -109.17 -61.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 75.140000000000001 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -87.53 7.16 30.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.519999999999996 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.0 tptp -78.22 -3.13 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.120000000000005 110.943 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -75.61 -55.41 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 110.843 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.83 138.4 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 110.919 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -42.5 99.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 75.310000000000002 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 39.4 mttm -63.54 124.48 21.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.409999999999997 110.937 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -95.65 -49.46 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 75.340000000000003 110.92 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.8 70.58 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.834 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 5.2 mtm -71.85 -27.11 62.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 72.519999999999996 110.909 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 56.24 31.17 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 74.129999999999995 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -131.29 118.9 21.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 75.450000000000003 111.111 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.13 -0.817 . . . . 73.450000000000003 112.494 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.877 0.37 . . . . 62.409999999999997 110.852 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 15.1 m120 53.8 32.05 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.917 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -93.17 79.35 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 111.061 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.1 t0 -91.87 53.21 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.439999999999998 110.847 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 22.1 t -117.76 66.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.430000000000007 111.094 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 40.3 t -115.5 -31.0 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 111.163 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -84.47 -44.92 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.891 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.36 162.59 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 55.229999999999997 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.51 74.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 71.439999999999998 110.827 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -48.36 -25.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 65.049999999999997 110.945 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.4 mtt 59.91 22.38 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 38.1 mt -81.84 -36.88 27.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 37.8 p90 -52.73 -24.79 9.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.917 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.61 -41.61 31.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 73.409999999999997 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.02 75.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.928 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 9.2 p -73.95 -32.79 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 111.091 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.31 -35.7 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 74.219999999999999 110.901 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 45.5 t -73.29 -29.48 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.46 -39.5 35.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 73.400000000000006 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 25.4 pt -73.25 -31.04 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 74.430000000000007 111.201 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -33.73 55.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 75.150000000000006 112.559 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.31 -33.59 56.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 43.329999999999998 112.528 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.18 -39.56 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 71.109999999999999 110.925 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.8 tp -67.82 -37.8 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.219999999999999 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.21 -27.08 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.921 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -38.05 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 75.329999999999998 110.986 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.44 -37.48 65.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.439999999999998 110.892 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -33.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.958 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.7 mt -69.15 -36.39 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 111.165 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -37.61 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 73.349999999999994 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -72.95 -36.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 111.123 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 14.7 t -72.07 -28.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.109999999999999 111.096 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.3 mt -82.41 -28.03 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -19.27 29.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.923 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.3 pttp -89.1 -32.2 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 75.420000000000002 110.907 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 19.7 m -75.65 -33.67 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 71.129999999999995 111.07 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 130.29 -5.83 5.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 61.399999999999999 112.456 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.2 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 74.319999999999993 110.923 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -88.3 -16.88 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 72.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 4.2 tttp -51.25 108.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.925 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -172.54 120.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.915 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -78.77 76.11 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 63.039999999999999 110.862 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 19.8 tp -97.72 161.39 13.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.329999999999998 110.956 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -54.6 -44.6 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 74.209999999999994 110.903 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 57.92 33.56 23.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 71.400000000000006 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -76.56 76.67 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 74.540000000000006 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 1.5 ttt -166.36 161.42 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 62.149999999999999 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.11 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 75.329999999999998 110.886 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -127.71 89.08 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 111.072 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.164 -0.798 . . . . 75.340000000000003 112.506 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.895 0.378 . . . . 64.319999999999993 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 34.9 m120 -148.1 164.92 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 72.239999999999995 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -108.07 85.56 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 73.420000000000002 111.088 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.28 75.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.766 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 11.1 m -68.63 -18.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 71.340000000000003 111.137 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.7 t -58.36 -20.4 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 75.349999999999994 111.105 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -106.91 -2.3 21.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 72.430000000000007 110.922 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -160.4 119.51 2.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 71.530000000000001 110.876 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 3.1 mptt 46.34 83.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 63.409999999999997 110.874 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.35 -18.84 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 75.420000000000002 110.978 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 55.09 24.58 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 75.200000000000003 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.12 -38.92 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 62.520000000000003 110.907 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 34.9 p90 -51.71 -25.02 6.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.919 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -35.77 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 72.420000000000002 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 9.5 p -74.23 -32.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 71.530000000000001 111.16 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 13.2 tp -75.44 -35.69 60.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 75.439999999999998 110.878 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -73.58 -29.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 73.450000000000003 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.52 -39.11 36.11 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 61.399999999999999 112.505 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 26.6 pt -73.52 -31.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 73.310000000000002 111.193 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.83 -33.41 55.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 65.209999999999994 112.513 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.65 -33.77 55.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 72.030000000000001 112.468 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.06 -39.43 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 75.129999999999995 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 7.3 mp -68.4 -37.39 80.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 70.329999999999998 110.931 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.93 -25.93 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 73.129999999999995 110.855 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -37.59 59.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 74.420000000000002 110.895 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.22 -35.52 63.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 74.400000000000006 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.41 -34.33 54.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 74.5 110.939 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.07 -31.8 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 111.137 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -74.95 -39.43 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.510000000000005 110.883 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 66.0 mt -75.93 -35.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.030000000000001 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 3.4 t -70.72 -32.09 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.400000000000006 111.153 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 20.7 mt -80.53 -28.76 37.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.968 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -16.84 40.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 110.842 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -93.66 -26.74 16.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 64.420000000000002 110.896 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 28.1 m -84.15 -32.55 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 71.109999999999999 111.099 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.68 47.86 0.43 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.77 -0.728 . . . . 73.450000000000003 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -119.64 -61.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 64.319999999999993 110.83 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -87.18 4.42 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.931 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -76.46 65.47 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 74.120000000000005 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -58.64 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 75.040000000000006 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -159.41 128.24 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.5 110.93 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 72.329999999999998 110.93 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 10.9 pttp -117.51 -27.15 6.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.859 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -78.55 2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 72.129999999999995 110.842 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -50.81 -31.12 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.881 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -47.75 71.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 74.530000000000001 110.919 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -119.86 42.23 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 74.120000000000005 110.914 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -57.67 158.8 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 71.329999999999998 111.192 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.156 -0.802 . . . . 72.200000000000003 112.545 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.831 0.348 . . . . 73.129999999999995 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 10.1 m120 -87.49 106.08 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.899 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -117.93 61.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 70.109999999999999 111.137 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -126.35 43.85 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.540000000000006 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 23.0 m -98.49 46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.409999999999997 111.139 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 30.2 t -86.93 -58.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.329999999999998 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -100.75 -55.86 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.540000000000006 110.897 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.05 -163.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.5 110.855 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -146.53 95.24 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 72.129999999999995 110.932 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -50.7 -23.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.896 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.7 mtt 60.57 21.82 11.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 110.838 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.34 -36.1 46.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 74.230000000000004 110.96 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 37.0 p90 -53.03 -25.66 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 71.400000000000006 110.908 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.5 -40.12 43.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 110.916 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -37.5 77.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.96 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 13.1 p -73.0 -32.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.129999999999995 111.108 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.9 tp -75.22 -35.95 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 73.540000000000006 110.93 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 35.7 t -73.52 -28.85 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 110.768 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.92 34.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 72.219999999999999 112.51 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 29.1 pt -73.76 -31.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 73.219999999999999 111.119 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.11 -34.46 52.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 71.420000000000002 112.404 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.72 57.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 71.219999999999999 112.537 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.24 -40.46 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 63.329999999999998 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -34.59 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 64.420000000000002 110.867 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 3.4 mp -74.88 -27.72 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.937 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -39.04 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.219999999999999 110.889 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 20.7 tp -72.81 -37.34 67.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.439999999999998 110.884 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -33.22 59.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 110.917 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.57 -37.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 111.099 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.52 -37.0 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.310000000000002 110.802 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.8 -37.3 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 111.099 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 48.4 t -71.68 -28.56 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 71.019999999999996 111.15 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 16.0 mt -82.96 -26.81 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 72.230000000000004 110.93 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -19.19 30.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 75.25 110.931 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.66 -32.47 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 74.540000000000006 110.929 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 23.9 m -74.49 -30.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 111.116 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.68 38.25 0.85 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 74.230000000000004 112.493 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.9 t80 -108.71 -61.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 75.099999999999994 110.894 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -93.28 -6.3 47.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 65.140000000000001 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.82 112.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 73.519999999999996 110.841 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -168.28 124.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.099999999999994 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -123.83 76.33 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.129999999999995 110.855 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.93 -48.76 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.209999999999994 110.887 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 14.6 pttt -62.05 154.16 27.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 72.409999999999997 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -109.39 -31.45 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.099999999999994 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -84.38 81.14 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 72.140000000000001 110.89 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 8.1 mtm -67.95 -40.88 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.299999999999997 110.88 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 57.4 tt0 62.08 43.32 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 64.040000000000006 110.906 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -95.28 145.98 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.400000000000006 111.104 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.109 -0.828 . . . . 51.240000000000002 112.491 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.899 0.38 . . . . 71.140000000000001 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.33 142.96 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -104.75 24.04 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.420000000000002 111.105 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.06 71.36 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 110.843 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 6.8 p -120.72 -31.62 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.230000000000004 111.115 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 4.6 t -119.45 -25.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.530000000000001 111.082 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 23.5 m-85 64.27 15.95 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 74.340000000000003 110.902 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -169.75 123.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 74.409999999999997 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.5 mmtt 48.21 79.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 72.25 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -56.68 -20.84 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.120000000000005 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.9 mtt 54.84 25.79 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 36.5 mt -85.85 -39.68 16.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 73.329999999999998 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 26.3 p90 -52.62 -24.56 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 110.98 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.6 mt -79.06 -41.67 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.537 . . . . 74.340000000000003 110.937 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -35.51 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 8.4 p -74.09 -33.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 73.25 111.125 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.19 -35.9 61.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.952 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.8 t -73.6 -28.85 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.310000000000002 110.82 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.94 34.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 44.32 112.446 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 30.1 pt -73.6 -31.46 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 73.319999999999993 111.103 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.13 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 62.509999999999998 112.523 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.82 -32.78 56.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.794 -0.717 . . . . 73.140000000000001 112.478 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.39 -38.96 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 74.340000000000003 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.16 -38.81 82.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.897 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.7 mp -72.78 -26.71 61.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.973 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.38 -38.23 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.912 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -37.44 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.420000000000002 110.89 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.16 -33.71 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 65.219999999999999 110.932 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.6 mt -68.71 -36.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.219999999999999 111.199 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.03 -36.88 67.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 73.219999999999999 110.866 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.8 mm -74.57 -36.26 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 111.209 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 40.9 t -73.03 -27.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.200000000000003 111.086 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.87 -32.48 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.099999999999994 110.89 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -14.53 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.200000000000003 110.946 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -98.23 -24.87 15.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 74.420000000000002 110.933 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t -79.41 -30.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 130.43 -13.02 5.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 44.119999999999997 112.466 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.13 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 74.140000000000001 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -87.23 5.2 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.5 110.859 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -82.81 1.52 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.049999999999997 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -26.18 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.916 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.34 28.89 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.81 138.98 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 110.855 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 14.3 pttm -140.65 149.69 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.5 110.927 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.02 -55.87 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -139.46 105.53 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 74.129999999999995 110.941 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 8.1 mtt -78.14 -25.03 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 75.409999999999997 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 39.35 41.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.530000000000001 110.915 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -80.14 99.37 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.120000000000005 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 CA-C-O 119.174 -0.792 . . . . 64.430000000000007 112.477 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 75.310000000000002 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 26.4 m120 58.25 40.18 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 74.319999999999993 110.887 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -144.66 167.4 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 63.130000000000003 111.076 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -98.88 14.47 28.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 73.200000000000003 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 1.8 m -151.83 87.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 111.13 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 52.7 t -57.31 -23.64 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.97 40.15 3.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.897 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 43.25 32.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 72.349999999999994 110.889 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.5 mttt 170.31 103.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 74.450000000000003 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -54.53 -22.1 12.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.959 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.6 mtt 52.19 24.32 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.924 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.23 -36.58 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 71.530000000000001 110.988 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.1 p90 -52.05 -27.59 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.450000000000003 110.939 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.34 -40.2 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -40.77 85.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 65.150000000000006 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 10.7 p -69.62 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 111.1 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.13 -36.93 64.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 22.1 t -72.99 -28.18 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 72.129999999999995 110.837 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.51 33.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 73.230000000000004 112.41 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.03 -31.06 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 74.019999999999996 111.073 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.77 -34.87 52.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 62.039999999999999 112.514 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.66 -32.7 57.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 50.5 112.473 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.03 -39.27 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 73.319999999999993 110.966 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.79 -38.81 83.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 73.519999999999996 110.89 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.4 mp -72.69 -26.17 61.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.540000000000006 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.35 -38.96 59.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.923 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.36 -34.81 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.099999999999994 110.923 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -34.3 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.539999999999999 110.875 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.87 -35.35 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.137 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -73.02 -38.19 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.829 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.79 -35.69 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 63.310000000000002 111.167 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 13.3 t -67.65 -33.19 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 111.114 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 47.0 mt -81.3 -33.14 32.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.010000000000005 110.955 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -19.91 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 110.941 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 pttt -95.53 -26.7 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 73.540000000000006 110.89 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.31 -28.6 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 111.207 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 129.21 -3.12 6.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 63.350000000000001 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 3.7 t80 -63.86 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 74.329999999999998 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -93.87 14.41 19.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 64.219999999999999 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.97 172.33 8.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 75.540000000000006 110.901 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -51.87 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 110.899 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.52 110.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 73.140000000000001 110.92 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 126.49 41.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 73.140000000000001 110.943 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 56.9 mttm -120.42 169.64 10.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.895 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -127.69 37.15 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.842 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -80.46 -33.61 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.040000000000006 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 53.8 tpp -112.93 106.66 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.450000000000003 110.89 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.24 52.68 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 71.340000000000003 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -63.0 157.07 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 71.120000000000005 111.085 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.152 -0.805 . . . . 73.439999999999998 112.514 -179.886 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.905 0.383 . . . . 72.299999999999997 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -161.87 148.29 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 110.867 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -115.71 53.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 72.209999999999994 111.101 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.85 46.19 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 73.420000000000002 110.915 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 14.0 p -96.92 -27.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 72.019999999999996 111.111 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 47.6 t -54.05 -27.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 75.140000000000001 111.199 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.08 139.37 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 64.349999999999994 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.12 -16.8 45.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 65.010000000000005 110.939 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.06 -1.19 27.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 74.120000000000005 110.881 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -65.1 -12.61 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 110.917 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 34.0 mmt 58.94 24.05 12.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.510000000000005 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.54 -23.44 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 72.25 110.941 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.1 p90 -51.87 -28.34 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.230000000000004 110.93 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.66 -50.46 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 73.430000000000007 110.98 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -33.93 77.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.89 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 2.5 t -73.42 -35.67 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 111.149 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.17 -35.49 64.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 110.913 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 32.1 t -73.76 -28.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 110.883 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.49 -38.88 31.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 63.409999999999997 112.525 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.5 pt -73.7 -31.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 73.450000000000003 111.146 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.1 53.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.692 -0.766 . . . . 75.150000000000006 112.5 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.75 -32.63 56.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 53.439999999999998 112.464 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.17 -39.87 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 74.510000000000005 110.914 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.34 -38.76 85.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 70.450000000000003 110.879 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.35 -25.66 60.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.230000000000004 110.898 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.6 tt -76.51 -36.57 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.907 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.0 mt -75.36 -35.22 61.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 74.510000000000005 110.913 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.7 55.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.981 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.8 -33.49 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 111.129 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -73.33 -38.84 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.7 mt -76.47 -35.43 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 74.129999999999995 111.168 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 15.1 t -69.2 -29.88 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 73.549999999999997 111.153 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 64.9 mt -84.49 -30.71 24.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.420000000000002 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -17.25 53.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -102.2 -23.9 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 63.25 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t -77.04 -32.04 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 111.12 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.96 -16.55 6.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 72.209999999999994 112.503 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.34 -60.83 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 72.049999999999997 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -84.22 1.27 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.0 tptt -95.89 174.06 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.530000000000001 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.87 100.44 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.5 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -162.71 157.02 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 61.43 110.856 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 5.9 tt -79.94 130.28 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.209999999999994 110.937 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 29.8 pttt -152.39 153.17 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 74.219999999999999 110.88 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -122.86 1.72 9.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.884 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -112.06 101.92 10.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.319999999999993 110.931 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 20.6 mmm -88.38 -35.93 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.836 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 39.49 41.73 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 74.329999999999998 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -64.92 112.17 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 63.100000000000001 111.036 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.157 -0.802 . . . . 73.040000000000006 112.534 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.883 0.373 . . . . 74.209999999999994 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -67.13 -32.87 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.94 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -142.65 114.55 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 65.230000000000004 111.095 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.37 76.7 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.922 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 17.4 t 63.23 64.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 74.400000000000006 111.148 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.9 t -123.63 -40.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.420000000000002 111.175 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -127.52 26.89 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.927 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1061 ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' 1062 ' ' LYS . 10.2 pt-20 -150.58 114.67 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 72.140000000000001 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1062 ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' 1061 ' ' GLU . 1.6 pttt 37.25 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.120000000000005 110.901 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -58.44 -18.25 26.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 71.099999999999994 110.889 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 4.7 mtt 61.48 20.94 11.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.964 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.95 -30.38 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.319999999999993 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 36.6 p90 -52.1 -25.51 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.909 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.04 -40.33 39.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 63.439999999999998 110.917 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -36.28 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.92 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 10.7 p -73.99 -32.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 111.129 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 13.0 tp -75.29 -36.1 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.209999999999994 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 12.1 t -74.25 -28.08 61.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.72 -37.54 34.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 74.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 29.7 pt -74.88 -31.68 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 74.030000000000001 111.121 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.85 -33.25 51.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 74.549999999999997 112.433 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.8 -32.24 54.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 71.450000000000003 112.477 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.45 -38.54 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 75.030000000000001 110.918 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.74 -36.33 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 73.540000000000006 110.918 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.84 -26.79 59.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 110.877 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -38.44 63.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 75.209999999999994 110.951 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.23 -37.26 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 74.450000000000003 110.925 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -33.52 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.409999999999997 110.955 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.6 mt -69.18 -36.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 74.540000000000006 111.05 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.63 -37.06 68.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.866 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.39 -38.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 111.104 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 42.3 t -69.59 -30.04 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 111.158 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 50.6 mt -78.91 -42.31 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 75.519999999999996 110.97 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -14.54 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -99.39 -20.61 16.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 74.329999999999998 110.874 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t -90.58 -35.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.310000000000002 111.173 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 128.72 51.64 0.12 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 51.32 112.427 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.67 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 64.120000000000005 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.98 -11.68 43.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.8 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 70.329999999999998 110.858 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -88.88 -44.92 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 75.439999999999998 110.893 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 20.3 m120 -55.28 136.46 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 63.539999999999999 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 8.5 tt -72.69 -40.66 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.836 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.49 143.2 44.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 73.219999999999999 110.922 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -81.61 -56.65 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.009999999999998 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 8.8 ttmm 52.83 44.73 29.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.905 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 23.7 ptt? -103.92 138.01 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 73.219999999999999 110.895 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -70.78 -65.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 72.319999999999993 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -130.39 148.26 52.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 63.210000000000001 111.104 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.124 -0.82 . . . . 72.230000000000004 112.483 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.905 0.383 . . . . 75.310000000000002 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -144.83 164.42 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 74.230000000000004 110.9 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 111.12 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.69 17.05 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.823 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 20.5 t 51.36 62.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 111.127 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 24.5 t -72.11 -40.39 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 75.120000000000005 111.069 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -119.55 165.29 14.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 64.239999999999995 110.895 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.38 17.6 14.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.099999999999994 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -0.7 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 73.340000000000003 110.858 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.58 -10.97 50.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 71.030000000000001 110.927 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 35.6 mmt 56.19 25.61 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.838 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.42 -36.08 15.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 74.040000000000006 110.933 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.0 p90 -51.81 -27.79 13.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.5 -40.2 57.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 75.209999999999994 110.995 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -40.44 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 72.25 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.3 p -70.13 -33.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 75.430000000000007 111.152 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 13.6 tp -74.44 -36.45 63.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.450000000000003 110.899 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 79.0 p -72.83 -29.01 62.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 73.140000000000001 110.821 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.67 -39.33 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 71.040000000000006 112.487 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.9 pt -73.61 -30.89 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 75.340000000000003 111.089 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.73 53.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 65.219999999999999 112.479 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.08 -33.53 56.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 75.340000000000003 112.453 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.49 -39.64 70.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 75.519999999999996 110.846 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.02 -38.97 86.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 74.150000000000006 110.946 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.72 -25.98 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.430000000000007 110.92 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.6 tt -76.32 -36.8 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.450000000000003 110.862 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 15.1 mt -74.94 -35.17 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 74.430000000000007 110.938 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -34.64 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.964 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 18.8 mt -71.94 -33.0 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 75.120000000000005 111.075 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.06 -38.66 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.795 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 73.7 mt -76.93 -35.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 71.430000000000007 111.108 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 16.3 t -70.29 -29.7 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.150000000000006 111.158 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 54.6 mt -84.71 -28.81 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -17.43 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 75.010000000000005 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -100.38 -26.31 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 74.329999999999998 110.896 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t -75.78 -32.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.450000000000003 111.12 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 129.54 -14.91 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.649 -0.786 . . . . 74.5 112.449 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 6.4 t80 -54.15 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 74.519999999999996 110.849 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -81.85 0.21 40.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.481 . . . . 75.150000000000006 110.926 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.3 tptp -90.57 171.23 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.340000000000003 110.883 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.57 48.53 21.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.911 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 19.8 m120 -149.22 179.85 7.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.38 92.87 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.109999999999999 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 53.2 mttp -144.01 -178.17 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.450000000000003 110.877 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -71.26 -41.14 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.129999999999995 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt 39.22 41.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.400000000000006 110.837 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1100 ' ' MET . . . . . 0.484 ' O ' ' C ' ' A' 1101 ' ' GLU . 33.2 mtt -68.54 -70.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 75.340000000000003 110.932 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1101 ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' 1100 ' ' MET . 1.5 pp20? 30.7 52.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 70.219999999999999 110.886 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -70.01 111.21 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.230000000000004 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.142 -0.81 . . . . 75.019999999999996 112.474 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.917 0.389 . . . . 75.430000000000007 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.3 m120 -70.27 149.79 47.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 72.439999999999998 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -129.11 153.59 47.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.150000000000006 111.117 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 1.8 t0 -178.68 119.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.319999999999993 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 2.5 p -156.64 89.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 71.010000000000005 111.13 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 17.8 t -115.76 -38.81 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 65.099999999999994 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -130.27 -73.73 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 75.530000000000001 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -149.91 25.99 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 73.439999999999998 110.923 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -84.37 8.24 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 70.25 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -69.13 -10.68 58.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 55.130000000000003 110.905 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 28.0 mmt 50.43 31.75 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 75.430000000000007 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 2.2 mt -89.85 -43.25 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.040000000000006 110.976 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 30.9 p90 -53.34 -23.73 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.319999999999993 110.955 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.3 mt -78.51 -40.28 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 71.519999999999996 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -37.4 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 74.540000000000006 110.9 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 14.1 p -72.68 -33.96 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 75.010000000000005 111.124 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 13.7 tp -74.27 -35.65 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.958 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.9 t -74.1 -28.04 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.77 -38.1 32.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 72.5 112.485 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 25.6 pt -74.69 -31.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.373 . . . . 75.400000000000006 111.168 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.13 -33.6 53.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 65.439999999999998 112.493 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.42 -32.71 54.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 75.430000000000007 112.466 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.99 -38.49 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 63.450000000000003 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.38 -37.85 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.934 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.09 -25.5 59.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 71.519999999999996 110.952 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.9 -37.86 58.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.010000000000005 110.904 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 51.2 tp -74.47 -35.22 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.230000000000004 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -34.23 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.420000000000002 110.944 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.65 -33.7 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.510000000000005 111.148 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -39.16 65.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.230000000000004 110.861 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.86 -36.47 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 70.409999999999997 111.14 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 14.5 t -67.75 -31.77 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 73.230000000000004 111.125 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 39.8 mt -82.0 -33.33 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.099999999999994 110.878 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -17.7 59.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 -17.23 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.85 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t -86.64 -36.4 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 75.209999999999994 111.144 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 132.49 48.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 63.299999999999997 112.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 -64.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 75.400000000000006 110.898 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -93.53 16.62 13.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 101.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.967 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.4 157.78 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.866 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -115.78 43.19 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 64.150000000000006 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.55 148.2 31.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 75.150000000000006 110.913 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -96.91 133.86 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.239999999999995 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.69 -55.05 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 72.099999999999994 110.923 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -130.83 98.91 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 14.8 mmm -69.58 155.24 40.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.843 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -116.36 60.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -64.16 123.45 19.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 CA-C-O 119.164 -0.798 . . . . 64.219999999999999 112.452 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.989 0.423 . . . . 72.150000000000006 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 36.0 m120 -120.6 28.11 8.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 73.319999999999993 110.925 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -65.23 99.78 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 62.310000000000002 111.09 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -161.52 110.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.340000000000003 110.795 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 2.5 p -179.85 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.132 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 98.4 t -94.19 -63.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 111.087 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -52.12 129.16 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 72.510000000000005 110.888 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.9 0.61 49.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 65.109999999999999 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -1.51 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 110.864 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.92 -10.9 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.887 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 38.6 mmt 55.07 28.4 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 110.92 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.33 -34.16 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 74.150000000000006 110.91 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.6 p90 -52.43 -25.96 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.937 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.31 -39.73 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.049999999999997 110.968 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -38.07 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.96 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 14.9 p -72.17 -33.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 75.329999999999998 111.158 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.5 tp -74.9 -36.32 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 75.540000000000006 110.874 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -27.86 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.72 -38.17 32.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 70.230000000000004 112.551 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.8 pt -74.48 -31.49 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 64.239999999999995 111.181 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.67 -33.46 51.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 72.239999999999995 112.465 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.59 54.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.735 . . . . 63.020000000000003 112.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.23 -38.8 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.319999999999993 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.56 -36.36 76.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 73.140000000000001 110.92 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.72 -26.42 59.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.919 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.39 -38.68 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.931 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -37.43 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.924 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.79 -33.63 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 75.120000000000005 110.944 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 8.3 mt -69.09 -37.09 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.219999999999999 111.144 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.73 -37.14 70.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 74.230000000000004 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 5.2 mm -73.98 -38.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 111.157 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 45.0 t -68.1 -31.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.5 111.17 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.59 -46.49 38.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 75.109999999999999 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -14.49 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 75.049999999999997 110.926 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -90.04 -26.71 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 64.219999999999999 110.94 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 33.7 m -92.32 -31.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.054 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.19 54.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 72.409999999999997 112.485 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -126.96 -65.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 74.219999999999999 110.85 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -88.64 -2.9 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 93.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.89 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -174.23 135.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.030000000000001 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.25 54.63 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -50.03 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 71.219999999999999 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 57.5 mttt -60.17 171.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.847 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 61.5 29.84 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 73.420000000000002 110.871 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -103.89 32.62 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 4.6 mtt -98.22 -27.4 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 110.842 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -107.9 40.52 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 63.310000000000002 110.937 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -96.62 74.85 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.340000000000003 111.152 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.123 -0.821 . . . . 73.109999999999999 112.576 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.944 0.402 . . . . 75.409999999999997 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -81.19 -49.36 10.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 63.409999999999997 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -86.12 137.16 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 111.108 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.64 115.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 70.109999999999999 110.847 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 13.6 p 39.4 38.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 71.310000000000002 111.081 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 63.3 t -60.99 -23.8 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.430000000000007 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -83.2 55.65 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 63.229999999999997 110.911 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -174.23 165.69 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.129999999999995 110.892 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -83.7 76.87 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.439999999999998 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -48.1 -25.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 74.5 110.896 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.3 mtt 59.78 20.48 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 72.140000000000001 110.908 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.1 -36.44 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.439999999999998 110.909 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 37.3 p90 -52.49 -25.57 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 70.109999999999999 110.929 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.1 mt -77.67 -40.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.510000000000005 110.909 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -37.42 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 110.985 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.8 p -72.88 -32.84 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 74.340000000000003 111.069 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 12.2 tp -75.3 -36.25 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 73.219999999999999 110.839 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 54.7 p -73.64 -28.25 61.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.409999999999997 110.814 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.51 -38.2 33.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 61.32 112.552 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 30.7 pt -74.33 -31.14 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 75.049999999999997 111.157 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.55 -33.6 51.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.742 -0.742 . . . . 75.099999999999994 112.497 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.37 53.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 64.109999999999999 112.451 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.25 -38.42 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 63.310000000000002 110.94 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -37.59 76.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 65.329999999999998 110.935 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.6 mp -74.57 -25.05 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 75.430000000000007 110.944 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.34 -37.47 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 71.329999999999998 110.924 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.1 -35.01 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 74.540000000000006 110.89 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 -34.3 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.349999999999994 110.939 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 15.8 mt -71.66 -33.38 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 70.409999999999997 111.137 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -38.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 72.140000000000001 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.2 mt -76.37 -35.96 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 111.107 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 14.2 t -67.6 -33.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 62.530000000000001 111.103 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 45.3 mt -80.54 -34.73 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.540000000000006 110.945 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -17.16 60.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 27.5 pttt -104.24 -16.6 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 64.530000000000001 110.938 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.3 t -88.69 -34.79 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.141 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 128.3 49.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 70.129999999999995 112.468 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.88 -65.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 74.040000000000006 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -90.3 -10.56 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.109999999999999 110.917 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.2 tttm -51.13 103.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -160.54 124.01 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 75.129999999999995 110.895 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.87 54.95 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 72.430000000000007 110.94 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.43 109.9 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.109999999999999 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 41.8 mttm -98.24 154.5 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 110.878 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -112.83 -34.25 5.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.319999999999993 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -135.9 113.87 11.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.869 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 18.4 tpp -73.04 -30.97 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 110.849 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -52.42 -41.35 63.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 74.400000000000006 110.852 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -99.68 131.12 45.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.510000000000005 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.095 -0.836 . . . . 54.130000000000003 112.531 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.927 0.394 . . . . 74.239999999999995 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.57 142.06 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 74.319999999999993 110.877 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -133.7 178.74 6.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 54.350000000000001 111.147 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 3.7 t0 -126.94 27.09 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.819 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -150.53 86.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 72.5 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 67.2 t -110.74 -51.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 111.087 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -101.07 -65.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 73.540000000000006 110.928 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -115.81 -164.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 60.030000000000001 110.875 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 8.8 mttp 66.64 12.49 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.931 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -62.38 -26.08 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.942 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 31.4 mmt 47.58 27.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.040000000000006 110.868 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.2 -37.13 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 25.7 p90 -52.12 -24.49 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 110.934 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.79 -40.78 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 74.340000000000003 110.996 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -35.94 75.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 110.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 10.6 p -73.81 -33.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 73.230000000000004 111.054 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.95 -36.6 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 4.0 p -72.22 -29.47 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 60.240000000000002 110.88 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.17 -39.61 36.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 54.310000000000002 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 36.7 pt -73.07 -30.69 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 74.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.55 -34.96 52.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 73.010000000000005 112.549 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.88 58.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.668 -0.777 . . . . 53.219999999999999 112.436 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.3 mt -71.69 -40.18 69.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 74.030000000000001 110.874 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.13 -38.59 85.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 110.84 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.82 -26.24 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.230000000000004 110.904 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 4.2 tt -75.51 -37.21 60.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 70.200000000000003 110.913 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.85 -34.86 62.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.949 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.84 -34.26 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 72.349999999999994 110.949 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 18.3 mt -71.55 -33.2 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.128 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -38.62 62.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.82 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.3 mt -76.61 -33.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 71.519999999999996 111.131 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 13.3 t -71.58 -30.56 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.319999999999993 111.159 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.11 -29.08 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 71.230000000000004 110.899 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -19.6 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 72.219999999999999 110.869 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -88.83 -39.39 13.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 75.519999999999996 110.952 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 26.1 m -67.9 -32.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 71.420000000000002 111.124 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 124.71 -7.12 8.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 74.430000000000007 112.507 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 6.7 t80 -51.62 -55.39 19.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.349999999999994 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -84.83 3.52 37.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 73.430000000000007 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.81 7.65 40.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 74.140000000000001 110.883 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -74.58 -41.57 60.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 75.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 25.0 m120 -129.16 164.17 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.6 125.28 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.996 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 55.3 mttt -51.83 147.02 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 72.120000000000005 110.934 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -100.76 25.54 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 75.329999999999998 110.869 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.28 77.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 75.310000000000002 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 3.3 ptt? -109.63 -33.54 6.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -110.52 37.71 2.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 72.439999999999998 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -77.24 95.75 4.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 63.439999999999998 111.095 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.116 -0.824 . . . . 63.149999999999999 112.531 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.869 0.366 . . . . 61.229999999999997 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 7.8 m120 -90.49 -44.33 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -86.11 177.54 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.420000000000002 111.078 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 30.4 t0 -96.67 6.46 48.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 2.6 p 179.77 101.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 111.071 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.4 t -113.56 -28.38 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 73.310000000000002 111.137 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -51.85 162.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.329999999999998 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -24.39 38.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 75.209999999999994 110.829 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.96 92.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 75.150000000000006 110.874 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -21.98 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 58.85 20.15 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 72.150000000000006 110.832 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.79 -26.77 44.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.419 . . . . 75.239999999999995 110.914 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.6 p90 -53.87 -24.97 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.450000000000003 110.931 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.2 -41.12 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 73.129999999999995 110.937 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -36.94 77.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.949 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.1 p -73.15 -33.18 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 71.519999999999996 111.101 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 11.9 tp -75.18 -35.59 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.92 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.9 t -73.5 -29.01 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.109999999999999 110.887 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.44 33.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 74.329999999999998 112.469 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 24.3 pt -73.47 -31.84 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 71.019999999999996 111.137 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.94 -32.66 56.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 72.120000000000005 112.49 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.59 -32.51 54.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 73.310000000000002 112.532 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.99 -39.76 65.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 75.420000000000002 110.941 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.27 -36.86 77.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.963 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.9 mp -74.55 -26.06 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.899 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 8.2 tt -74.7 -38.56 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 75.5 110.836 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 46.6 mt -72.75 -37.68 67.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.942 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -35.08 60.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.959 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.85 -37.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.019999999999996 111.161 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -70.5 -38.15 74.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.299999999999997 110.85 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 92.3 mt -77.67 -28.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.040000000000006 111.072 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 3.5 t -70.95 -38.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 75.030000000000001 111.167 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 3.6 pp -77.72 -30.7 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 110.912 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -17.03 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 73.310000000000002 110.969 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 32.0 mttp -93.46 -26.09 17.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 75.450000000000003 110.866 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 34.9 m -85.13 -25.5 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.519999999999996 111.161 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.44 53.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 73.019999999999996 112.458 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 1.5 t80 -123.15 -50.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 75.409999999999997 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -105.97 49.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.239999999999995 110.902 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -91.65 15.1 13.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.140000000000001 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -104.29 -27.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 73.150000000000006 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -108.64 106.31 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.903 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 11.0 tp -90.14 146.0 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 64.219999999999999 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 21.4 pttp -113.34 134.9 54.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.834 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.37 -29.51 69.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 74.019999999999996 110.896 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? 39.21 41.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.120000000000005 110.886 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -39.48 91.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 75.5 110.946 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 59.86 50.54 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 75.420000000000002 110.937 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -59.53 148.61 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.400000000000006 111.175 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.139 -0.812 . . . . 74.409999999999997 112.459 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.864 0.364 . . . . 62.32 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 31.2 m120 -107.43 125.26 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 74.230000000000004 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -96.11 92.75 6.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 70.219999999999999 111.105 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.51 111.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 24.7 t -122.53 66.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.329999999999998 111.17 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 23.2 t -119.03 -31.62 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 63.030000000000001 111.208 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -90.2 -31.15 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -57.74 163.73 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 73.120000000000005 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 16.5 mttm -74.04 74.17 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 73.150000000000006 110.875 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.6 -25.43 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.4 mtt 59.97 20.97 10.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.519999999999996 110.866 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.64 -43.61 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 75.040000000000006 110.888 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.9 p90 -52.24 -25.64 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 72.150000000000006 110.861 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.95 -40.43 47.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.91 -38.25 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 73.049999999999997 110.893 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 13.8 p -72.16 -32.89 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 75.219999999999999 111.114 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.75 -38.01 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 73.329999999999998 110.962 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 40.6 t -72.98 -25.96 61.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 64.129999999999995 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -78.92 -37.26 26.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 74.319999999999993 112.487 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 28.8 pt -76.29 -31.05 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 74.430000000000007 111.115 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -80.71 -34.73 27.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 72.5 112.512 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -77.03 -30.35 55.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 73.420000000000002 112.529 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.15 -35.59 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.530000000000001 110.976 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.9 -33.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 64.0 110.95 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.73 -27.64 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.886 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.63 -37.37 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.91 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.88 -35.17 62.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.943 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -33.83 52.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.859 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.54 -33.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.209999999999994 111.096 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -38.81 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 75.409999999999997 110.858 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 68.5 mt -75.76 -35.5 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.129999999999995 111.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 23.6 t -71.19 -30.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 111.088 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 37.0 mt -82.58 -27.85 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.409999999999997 110.944 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -17.01 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 75.219999999999999 110.936 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.7 pttm -94.1 -27.18 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.409999999999997 110.865 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 30.3 m -83.77 -24.54 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 75.040000000000006 111.174 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 108.61 49.47 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 72.519999999999996 112.478 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -123.09 -49.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.355 . . . . 75.450000000000003 110.848 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -104.88 3.46 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 73.519999999999996 110.849 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 7.7 tttt -54.0 109.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 74.019999999999996 110.946 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -57.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 72.239999999999995 110.836 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 35.6 m120 -145.6 165.67 28.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.150000000000006 110.917 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.9 102.93 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 74.230000000000004 110.906 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -71.05 147.0 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.450000000000003 110.899 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.64 -26.34 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.129999999999995 110.944 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -83.94 -33.03 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.099999999999994 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 12.5 ttt -111.22 156.42 21.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 72.019999999999996 110.911 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 2.4 tp10 57.45 26.31 12.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -81.13 83.81 6.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 74.140000000000001 111.036 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.117 -0.824 . . . . 75.129999999999995 112.501 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.849 0.357 . . . . 74.099999999999994 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 19.1 m120 -135.23 86.09 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 110.946 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -105.15 28.91 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 64.549999999999997 111.094 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.3 t0 -174.94 111.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 74.439999999999998 110.944 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 18.1 t -113.81 61.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 111.103 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 61.5 t -122.03 -31.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 111.16 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -54.94 176.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.897 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -116.96 -15.23 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.239999999999995 110.877 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.85 17.24 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.430000000000007 110.877 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -64.52 -17.76 64.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 64.230000000000004 110.918 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 29.6 mmt 50.24 28.54 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.832 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 3.7 pp -96.77 -20.46 18.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 72.129999999999995 110.916 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 32.9 p90 -53.56 -23.8 11.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.983 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.39 -42.4 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 74.540000000000006 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -35.05 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 110.896 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 7.4 p -74.49 -32.89 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.25 111.141 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 17.6 tp -75.73 -34.82 60.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.951 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 2.0 t -74.07 -29.49 61.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.857 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.44 -39.1 36.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 63.32 112.475 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1073 ' ' ILE . . . . . . . . . . . . . 27.5 pt -73.36 -31.23 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 74.319999999999993 111.1 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.4 -34.11 55.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 64.030000000000001 112.446 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.47 -33.41 56.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.693 -0.765 . . . . 74.120000000000005 112.517 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.06 -38.59 69.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 62.43 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.37 -39.12 85.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.911 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1078 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.53 -27.55 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 110.873 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 18.2 tp -73.63 -37.86 65.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 75.299999999999997 110.963 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1080 ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' 1084 ' ' ILE . 65.7 mt -71.13 -43.58 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 110.922 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1081 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -34.71 72.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 74.319999999999993 110.839 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1082 ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.43 -31.85 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.439999999999998 111.138 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -41.68 69.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.219999999999999 110.85 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1084 ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' 1080 ' ' LEU . 5.2 mm -74.6 -34.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.040000000000006 111.18 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1085 ' ' VAL . . . . . . . . . . . . . 32.3 t -69.72 -28.84 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 111.155 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 29.9 mt -85.27 -30.87 23.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 75.549999999999997 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -13.75 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.901 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -101.71 -28.16 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 75.420000000000002 110.921 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.9 t -75.12 -31.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 71.319999999999993 111.181 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 131.5 -9.85 5.55 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 61.530000000000001 112.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -65.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 74.310000000000002 110.88 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -85.22 -18.42 34.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.3 tttm -51.19 116.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 65.109999999999999 110.866 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -57.51 134.96 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 75.540000000000006 110.935 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -170.93 162.67 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.945 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.24 95.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 72.420000000000002 110.885 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 30.9 mttm -121.75 -50.43 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 71.299999999999997 110.854 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 16.8 tt0 62.86 38.8 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 65.420000000000002 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -113.96 78.31 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 74.540000000000006 110.899 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 3.8 tpp -66.62 126.95 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 71.409999999999997 110.895 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -118.09 63.53 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 110.917 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -83.28 79.67 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.127 -0.818 . . . . 65.040000000000006 112.472 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.341 . . . . 72.400000000000006 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.421 ' HA ' HG12 ' A' 1069 ' ' VAL . 22.7 p90 -53.86 -23.24 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.200000000000003 110.914 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.41 -42.4 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 70.150000000000006 110.914 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 74.519999999999996 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' 1073 ' ' ILE . 7.2 p -74.5 -33.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 111.111 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.559 HD12 HD11 ' A' 1073 ' ' ILE . 14.0 tp -75.27 -36.62 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 110.849 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -72.18 -30.03 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 60.109999999999999 110.817 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1072 ' ' GLY . . . . . 0.546 ' O ' HD13 ' A' 1076 ' ' LEU . . . -74.7 -39.84 39.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 60.450000000000003 112.433 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.559 HD11 HD12 ' A' 1070 ' ' LEU . 35.1 pt -72.93 -30.62 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 62.420000000000002 111.147 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.37 -34.19 55.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 64.120000000000005 112.454 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.78 -33.95 57.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 75.129999999999995 112.489 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' 1072 ' ' GLY . 7.4 mp -71.37 -40.5 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 55.039999999999999 110.884 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.89 -37.88 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 72.140000000000001 110.91 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.4 mp -73.2 -26.08 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 54.43 110.911 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.72 -37.64 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 71.209999999999994 110.899 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.74 -34.65 62.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 64.109999999999999 110.861 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.73 -34.7 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 75.040000000000006 110.969 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' 1078 ' ' LEU . 18.2 mt -71.3 -33.16 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 53.130000000000003 111.091 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.22 -38.64 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 110.845 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.5 mt -76.87 -34.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 111.106 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' 1089 ' ' VAL . 15.5 t -71.17 -30.03 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 72.019999999999996 111.138 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.7 mt -83.57 -29.62 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.91 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -20.35 37.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.902 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.23 -40.49 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 110.875 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' 1085 ' ' VAL . 29.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.219999999999999 111.124 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 75.099999999999994 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.418 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.6 p90 -52.63 -24.44 8.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 110.887 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.19 -41.18 28.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 72.430000000000007 110.961 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -35.36 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.907 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' 1073 ' ' ILE . 8.0 p -74.28 -33.03 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 64.329999999999998 111.123 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.443 HD12 HD11 ' A' 1073 ' ' ILE . 12.3 tp -75.31 -35.99 61.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 53.109999999999999 110.917 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 26.6 t -73.99 -28.1 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1072 ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.6 -38.25 32.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 61.100000000000001 112.5 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' 1069 ' ' VAL . 28.7 pt -74.31 -31.5 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 65.099999999999994 111.145 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.98 -33.82 54.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 73.150000000000006 112.485 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.04 -33.1 55.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 62.030000000000001 112.547 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' 1072 ' ' GLY . 6.3 mt -72.47 -38.58 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 73.400000000000006 110.921 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.95 -37.48 78.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 72.140000000000001 110.897 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.604 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.7 mp -73.98 -25.89 60.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.400000000000006 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' 1079 ' ' LEU . 0.5 OUTLIER -76.01 -37.26 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 54.409999999999997 110.925 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -35.09 62.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 73.439999999999998 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.69 -34.38 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 63.119999999999997 110.908 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' 1078 ' ' LEU . 18.6 mt -72.15 -32.26 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 65.329999999999998 111.158 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -74.25 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.925 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.4 mt -76.52 -36.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 71.209999999999994 111.138 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1081 ' ' LEU . 18.0 t -68.93 -31.97 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 53.109999999999999 111.156 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.97 -32.06 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -17.31 55.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.109999999999999 110.925 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.6 pttp -103.26 -16.86 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.329999999999998 110.887 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 64.319999999999993 111.138 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' 1066 ' ' TYR . 3.6 pp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 73.420000000000002 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.6 ' N ' HD12 ' A' 1065 ' ' LEU . 19.0 p90 -57.99 -20.03 35.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.83 -46.89 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.430000000000007 110.945 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -33.99 75.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 75.140000000000001 110.83 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' 1073 ' ' ILE . 6.2 p -74.89 -32.49 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 73.349999999999994 111.119 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.578 HD12 HD11 ' A' 1073 ' ' ILE . 14.9 tp -75.67 -36.56 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.907 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 10.6 t -72.51 -29.65 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 44.149999999999999 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -74.85 -39.55 38.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 74.349999999999994 112.446 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.578 HD11 HD12 ' A' 1070 ' ' LEU . 38.5 pt -72.93 -30.83 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 70.219999999999999 111.147 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.22 -34.37 55.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 50.310000000000002 112.481 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.87 -33.73 57.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 74.329999999999998 112.495 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.2 -40.4 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 63.329999999999998 110.866 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.72 -38.13 86.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.974 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.569 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.3 mp -73.25 -25.76 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 64.340000000000003 110.827 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.6 tp -75.96 -37.53 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 52.539999999999999 110.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.6 tp -74.49 -35.02 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.140000000000001 110.918 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.66 -34.58 52.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 61.240000000000002 110.941 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' 1078 ' ' LEU . 19.0 mt -71.53 -32.6 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 44.420000000000002 111.158 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 60.229999999999997 110.876 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.9 mt -76.64 -34.07 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 64.129999999999995 111.187 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' 1089 ' ' VAL . 2.6 t -71.64 -30.6 39.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 55.439999999999998 111.186 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.93 -28.51 29.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 110.891 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -19.86 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.951 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -88.83 -38.9 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.97 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' 1085 ' ' VAL . 27.6 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 62.109999999999999 111.129 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.420000000000002 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 33.3 p90 -51.82 -28.78 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.968 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.87 -40.33 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.959 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -42.0 84.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' 1073 ' ' ILE . 12.6 p -69.51 -33.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 62.350000000000001 111.132 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.525 HD12 HD11 ' A' 1073 ' ' ILE . 12.7 tp -74.42 -37.12 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 74.340000000000003 110.966 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.0 t -72.53 -28.23 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 73.120000000000005 110.917 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.68 32.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 73.209999999999994 112.537 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' 1069 ' ' VAL . 31.4 pt -74.41 -30.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 62.229999999999997 111.193 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.15 50.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 73.230000000000004 112.528 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.02 54.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 63.399999999999999 112.506 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 -38.37 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 73.549999999999997 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.43 -38.34 77.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.540000000000006 110.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.596 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -73.7 -26.18 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 64.25 110.929 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.53 -38.68 62.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 110.947 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.3 -37.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 64.200000000000003 110.93 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -75.97 -33.79 59.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.884 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' 1078 ' ' LEU . 8.9 mt -69.17 -36.43 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 75.450000000000003 111.108 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.49 -37.04 68.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 73.439999999999998 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1084 ' ' ILE . . . . . 0.459 HG22 ' HD2' ' A' 1088 ' ' LYS . 4.8 mm -74.56 -38.26 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 73.109999999999999 111.13 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' 1089 ' ' VAL . 40.7 t -68.4 -31.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 50.149999999999999 111.128 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.25 -46.45 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.975 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -14.97 62.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.109999999999999 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1088 ' ' LYS . . . . . 0.459 ' HD2' HG22 ' A' 1084 ' ' ILE . 75.8 mttt -89.75 -27.46 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 72.040000000000006 110.949 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' 1085 ' ' VAL . 33.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 71.430000000000007 111.163 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.838 0.351 . . . . 62.310000000000002 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.408 ' HA ' HG12 ' A' 1069 ' ' VAL . 27.2 p90 -51.76 -25.33 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 62.219999999999999 110.935 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.89 -39.38 43.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 73.420000000000002 110.918 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.13 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.120000000000005 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' 1073 ' ' ILE . 12.6 p -72.93 -33.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.216 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.4 tp -75.19 -36.61 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.310000000000002 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 53.8 p -73.29 -27.8 61.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.120000000000005 110.881 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.73 -39.12 29.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 75.239999999999995 112.551 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' 1069 ' ' VAL . 28.9 pt -73.49 -31.21 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 60.43 111.1 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.98 52.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 73.239999999999995 112.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.96 -33.8 56.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 70.010000000000005 112.538 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.45 -40.61 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 64.040000000000006 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.7 tp -68.16 -33.45 74.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 64.230000000000004 110.934 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.693 HD12 HD11 ' A' 1082 ' ' ILE . 0.2 OUTLIER -74.26 -32.85 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 71.109999999999999 110.896 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.611 ' O ' HD13 ' A' 1079 ' ' LEU . 0.7 OUTLIER -70.52 -35.69 73.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.891 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -39.12 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 65.200000000000003 110.911 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' 1081 ' ' LEU . 0.2 OUTLIER -77.53 -34.44 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 110.903 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.693 HD11 HD12 ' A' 1078 ' ' LEU . 33.9 mt -70.49 -33.44 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.177 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -74.73 -38.72 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.150000000000006 110.848 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.41 -36.09 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' 1089 ' ' VAL . 32.1 t -70.23 -31.04 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 111.155 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.423 ' HA ' HG22 ' A' 1089 ' ' VAL . 28.8 mt -83.36 -25.83 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.140000000000001 110.911 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -19.14 34.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 74.409999999999997 110.895 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -91.26 -31.96 15.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 74.010000000000005 110.931 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 1085 ' ' VAL . 27.2 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 55.020000000000003 111.11 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.819 0.342 . . . . 73.219999999999999 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.414 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.8 p90 -52.73 -24.79 9.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.917 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.61 -41.61 31.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 43.009999999999998 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.02 75.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.928 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' 1073 ' ' ILE . 9.2 p -73.95 -32.79 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 111.091 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.662 HD12 HD11 ' A' 1073 ' ' ILE . 16.8 tp -75.31 -35.7 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 73.540000000000006 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 45.5 t -73.29 -29.48 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.46 -39.5 35.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 60.329999999999998 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.662 HD11 HD12 ' A' 1070 ' ' LEU . 25.4 pt -73.25 -31.04 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 74.140000000000001 111.201 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -33.73 55.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 65.25 112.559 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.31 -33.59 56.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 42.439999999999998 112.528 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.18 -39.56 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 71.109999999999999 110.925 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.8 tp -67.82 -37.8 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.230000000000004 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.594 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.9 mp -73.21 -27.08 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 63.340000000000003 110.921 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' 1079 ' ' LEU . 0.4 OUTLIER -74.19 -38.05 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 75.329999999999998 110.986 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.44 -37.48 65.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 110.892 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -76.06 -33.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.958 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1078 ' ' LEU . 8.7 mt -69.15 -36.39 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 111.165 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -37.61 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 73.349999999999994 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -72.95 -36.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' 1089 ' ' VAL . 14.7 t -72.07 -28.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.319999999999993 111.096 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.3 mt -82.41 -28.03 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -19.27 29.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.923 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.3 pttp -89.1 -32.2 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 61.149999999999999 110.907 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' 1085 ' ' VAL . 19.7 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 71.129999999999995 111.07 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 62.009999999999998 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.414 ' HA ' HG12 ' A' 1069 ' ' VAL . 34.9 p90 -51.71 -25.02 6.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 65.099999999999994 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -35.77 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 60.420000000000002 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' 1073 ' ' ILE . 9.5 p -74.23 -32.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 61.329999999999998 111.16 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.504 HD12 HD11 ' A' 1073 ' ' ILE . 13.2 tp -75.44 -35.69 60.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 75.439999999999998 110.878 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -73.58 -29.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 62.140000000000001 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.52 -39.11 36.11 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 61.350000000000001 112.505 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' 1077 ' ' LEU . 26.6 pt -73.52 -31.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 71.439999999999998 111.193 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.83 -33.41 55.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 64.329999999999998 112.513 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.65 -33.77 55.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 44.350000000000001 112.468 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.06 -39.43 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 75.129999999999995 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1077 ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' 1073 ' ' ILE . 7.3 mp -68.4 -37.39 80.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 64.109999999999999 110.931 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.8 mp -73.93 -25.93 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.109999999999999 110.855 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' 1079 ' ' LEU . 0.5 OUTLIER -75.78 -37.59 59.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 74.420000000000002 110.895 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.22 -35.52 63.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 74.310000000000002 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.41 -34.33 54.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.319999999999993 110.939 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' 1078 ' ' LEU . 17.7 mt -72.07 -31.8 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 45.119999999999997 111.137 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -74.95 -39.43 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.510000000000005 110.883 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 66.0 mt -75.93 -35.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.510000000000005 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' 1089 ' ' VAL . 3.4 t -70.72 -32.09 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.310000000000002 111.153 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.411 ' HA ' HG22 ' A' 1089 ' ' VAL . 20.7 mt -80.53 -28.76 37.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.968 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -16.84 40.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 110.842 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -93.66 -26.74 16.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 62.450000000000003 110.896 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' 1085 ' ' VAL . 28.1 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 63.219999999999999 111.099 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' 1068 ' ' TYR . 3.3 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.893 0.378 . . . . 74.209999999999994 110.96 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.405 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.0 p90 -53.03 -25.66 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 70.329999999999998 110.908 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.5 -40.12 43.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.916 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1068 ' ' TYR . . . . . 0.454 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.53 -37.5 77.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.96 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' 1073 ' ' ILE . 13.1 p -73.0 -32.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.219999999999999 111.108 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.497 HD12 HD11 ' A' 1073 ' ' ILE . 12.9 tp -75.22 -35.95 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 73.540000000000006 110.93 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 35.7 t -73.52 -28.85 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.409999999999997 110.768 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.92 34.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 72.219999999999999 112.51 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' 1069 ' ' VAL . 29.1 pt -73.76 -31.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 73.219999999999999 111.119 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1074 ' ' GLY . . . . . 0.524 ' HA2' HD23 ' A' 1077 ' ' LEU . . . -75.11 -34.46 52.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 61.039999999999999 112.404 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.72 57.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 53.119999999999997 112.537 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.24 -40.46 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 62.340000000000003 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1077 ' ' LEU . . . . . 0.524 HD23 ' HA2' ' A' 1074 ' ' GLY . 0.7 OUTLIER -69.51 -34.59 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 62.530000000000001 110.867 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' 1081 ' ' LEU . 3.4 mp -74.88 -27.72 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.937 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' 1079 ' ' LEU . 0.2 OUTLIER -73.87 -39.04 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.009999999999998 110.889 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 20.7 tp -72.81 -37.34 67.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 53.229999999999997 110.884 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -76.17 -33.22 59.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 53.009999999999998 110.917 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' 1078 ' ' LEU . 7.1 mt -68.57 -37.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 111.099 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.52 -37.0 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.310000000000002 110.802 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.8 -37.3 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 53.439999999999998 111.099 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' 1089 ' ' VAL . 48.4 t -71.68 -28.56 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 111.15 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 16.0 mt -82.96 -26.81 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 72.230000000000004 110.93 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -19.19 30.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.219999999999999 110.931 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.66 -32.47 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 74.209999999999994 110.929 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' 1085 ' ' VAL . 23.9 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 52.520000000000003 111.116 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.826 0.346 . . . . 73.140000000000001 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.413 ' HA ' HG12 ' A' 1069 ' ' VAL . 26.3 p90 -52.62 -24.56 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 74.239999999999995 110.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.6 mt -79.06 -41.67 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.537 . . . . 73.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -35.51 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' 1073 ' ' ILE . 8.4 p -74.09 -33.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 63.219999999999999 111.125 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.646 HD12 HD11 ' A' 1073 ' ' ILE . 16.0 tp -75.19 -35.9 61.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.329999999999998 110.952 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.8 t -73.6 -28.85 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.310000000000002 110.82 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.94 34.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 44.32 112.446 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.646 HD11 HD12 ' A' 1070 ' ' LEU . 30.1 pt -73.6 -31.46 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 71.510000000000005 111.103 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.13 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 62.509999999999998 112.523 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.82 -32.78 56.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.794 -0.717 . . . . 73.140000000000001 112.478 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.39 -38.96 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 73.230000000000004 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.16 -38.81 82.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.897 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -72.78 -26.71 61.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 54.310000000000002 110.973 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.38 -38.23 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1080 ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' 1080 ' ' LEU . 0.4 OUTLIER -73.13 -37.44 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.420000000000002 110.89 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -76.16 -33.71 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 54.210000000000001 110.932 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' 1078 ' ' LEU . 8.6 mt -68.71 -36.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 52.030000000000001 111.199 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.03 -36.88 67.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 71.109999999999999 110.866 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.8 mm -74.57 -36.26 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 60.229999999999997 111.209 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' 1081 ' ' LEU . 40.9 t -73.03 -27.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.200000000000003 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.87 -32.48 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.099999999999994 110.89 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -14.53 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.200000000000003 110.946 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -98.23 -24.87 15.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 74.420000000000002 110.933 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 111.115 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 65.049999999999997 110.988 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.1 p90 -52.05 -27.59 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.939 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.34 -40.2 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -40.77 85.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 53.229999999999997 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' 1073 ' ' ILE . 10.7 p -69.62 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.13 -36.93 64.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.010000000000005 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 22.1 t -72.99 -28.18 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 72.129999999999995 110.837 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.51 33.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 73.230000000000004 112.41 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' 1069 ' ' VAL . 34.8 pt -74.03 -31.06 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 73.109999999999999 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.77 -34.87 52.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 61.049999999999997 112.514 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.66 -32.7 57.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 41.119999999999997 112.473 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.03 -39.27 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 73.099999999999994 110.966 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1077 ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' 1073 ' ' ILE . 3.2 mm? -67.79 -38.81 83.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 54.130000000000003 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.603 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.4 mp -72.69 -26.17 61.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.530000000000001 110.916 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.35 -38.96 59.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.923 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.36 -34.81 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.099999999999994 110.923 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.87 -34.3 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.539999999999999 110.875 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' 1078 ' ' LEU . 13.3 mt -70.87 -35.35 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.137 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -73.02 -38.19 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 72.430000000000007 110.829 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.79 -35.69 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 62.240000000000002 111.167 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' 1081 ' ' LEU . 13.3 t -67.65 -33.19 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 111.114 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 47.0 mt -81.3 -33.14 32.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.010000000000005 110.955 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -19.91 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 110.941 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 pttt -95.53 -26.7 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 55.310000000000002 110.89 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 41.100000000000001 111.207 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' 1066 ' ' TYR . 4.0 pp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.851 0.358 . . . . 65.319999999999993 110.941 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.537 ' N ' HD12 ' A' 1065 ' ' LEU . 27.1 p90 -51.87 -28.34 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.230000000000004 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.66 -50.46 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 62.210000000000001 110.98 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1068 ' ' TYR . . . . . 0.734 ' CE2' HG23 ' A' 1069 ' ' VAL . 0.1 OUTLIER -65.77 -33.93 77.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 72.099999999999994 110.89 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.734 HG23 ' CE2' ' A' 1068 ' ' TYR . 2.5 t -73.42 -35.67 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 111.149 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.444 HD12 HD11 ' A' 1073 ' ' ILE . 12.4 tp -74.17 -35.49 64.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 53.229999999999997 110.913 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 32.1 t -73.76 -28.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.883 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.49 -38.88 31.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 63.409999999999997 112.525 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' 1069 ' ' VAL . 28.5 pt -73.7 -31.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 70.439999999999998 111.146 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.1 53.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.692 -0.766 . . . . 75.150000000000006 112.5 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.75 -32.63 56.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 53.229999999999997 112.464 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.17 -39.87 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 74.510000000000005 110.914 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.34 -38.76 85.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.879 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.591 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.6 mp -73.35 -25.66 60.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.230000000000004 110.898 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' 1079 ' ' LEU . 8.6 tt -76.51 -36.57 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.109999999999999 110.907 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.0 mt -75.36 -35.22 61.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 74.510000000000005 110.913 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.36 -34.7 55.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 74.019999999999996 110.981 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' 1078 ' ' LEU . 19.4 mt -71.8 -33.49 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 64.109999999999999 111.129 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -73.33 -38.84 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.7 mt -76.47 -35.43 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 72.519999999999996 111.168 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' 1081 ' ' LEU . 15.1 t -69.2 -29.88 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 73.549999999999997 111.153 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 64.9 mt -84.49 -30.71 24.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.420000000000002 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -17.25 53.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -102.2 -23.9 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 41.229999999999997 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 70.409999999999997 111.12 179.849 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' 1068 ' ' TYR . 19.0 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.814 0.34 . . . . 71.319999999999993 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.402 ' HA ' HG12 ' A' 1069 ' ' VAL . 36.6 p90 -52.1 -25.51 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 63.539999999999999 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.04 -40.33 39.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 63.439999999999998 110.917 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1068 ' ' TYR . . . . . 0.413 ' CE2' HD22 ' A' 1065 ' ' LEU . 0.0 OUTLIER -70.08 -36.28 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.92 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' 1073 ' ' ILE . 10.7 p -73.99 -32.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 55.229999999999997 111.129 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.475 HD12 HD11 ' A' 1073 ' ' ILE . 13.0 tp -75.29 -36.1 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.010000000000005 110.896 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 12.1 t -74.25 -28.08 61.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1072 ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.72 -37.54 34.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 41.409999999999997 112.523 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' 1069 ' ' VAL . 29.7 pt -74.88 -31.68 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 52.409999999999997 111.121 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.85 -33.25 51.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 74.549999999999997 112.433 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.8 -32.24 54.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 41.229999999999997 112.477 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' 1072 ' ' GLY . 7.2 mt -73.45 -38.54 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 74.310000000000002 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.74 -36.33 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 73.450000000000003 110.918 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.574 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -74.84 -26.79 59.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 110.877 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' 1079 ' ' LEU . 0.6 OUTLIER -74.29 -38.44 63.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 75.209999999999994 110.951 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.23 -37.26 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 74.299999999999997 110.925 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -76.12 -33.52 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.955 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' 1078 ' ' LEU . 8.6 mt -69.18 -36.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 71.200000000000003 111.05 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.63 -37.06 68.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.866 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.39 -38.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 111.104 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' 1081 ' ' LEU . 42.3 t -69.59 -30.04 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 111.158 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 50.6 mt -78.91 -42.31 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 70.219999999999999 110.97 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -14.54 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 71.030000000000001 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -99.39 -20.61 16.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 55.32 110.874 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.310000000000002 111.173 179.831 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.337 . . . . 74.040000000000006 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.0 p90 -51.81 -27.79 13.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.5 -40.2 57.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 75.109999999999999 110.995 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -40.44 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 71.329999999999998 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' 1073 ' ' ILE . 11.3 p -70.13 -33.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 73.409999999999997 111.152 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.687 HD12 HD11 ' A' 1073 ' ' ILE . 13.6 tp -74.44 -36.45 63.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 110.899 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 79.0 p -72.83 -29.01 62.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 73.030000000000001 110.821 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.67 -39.33 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 71.040000000000006 112.487 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.687 HD11 HD12 ' A' 1070 ' ' LEU . 28.9 pt -73.61 -30.89 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 75.340000000000003 111.089 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.73 53.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 64.450000000000003 112.479 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.08 -33.53 56.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 64.099999999999994 112.453 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.49 -39.64 70.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 74.349999999999994 110.846 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.02 -38.97 86.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 74.150000000000006 110.946 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.582 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.9 mp -72.72 -25.98 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.430000000000007 110.92 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.6 tt -76.32 -36.8 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.450000000000003 110.862 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 15.1 mt -74.94 -35.17 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 74.430000000000007 110.938 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.56 -34.64 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.964 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' 1078 ' ' LEU . 18.8 mt -71.94 -33.0 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 63.140000000000001 111.075 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.06 -38.66 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.795 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 73.7 mt -76.93 -35.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 60.409999999999997 111.108 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' 1081 ' ' LEU . 16.3 t -70.29 -29.7 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.150000000000006 111.158 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 54.6 mt -84.71 -28.81 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -17.43 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 75.010000000000005 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -100.38 -26.31 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 65.299999999999997 110.896 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.450000000000003 111.12 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' 1068 ' ' TYR . 2.2 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 74.040000000000006 110.976 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 30.9 p90 -53.34 -23.73 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.955 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.3 mt -78.51 -40.28 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 51.350000000000001 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1068 ' ' TYR . . . . . 0.423 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.18 -37.4 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.9 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' 1073 ' ' ILE . 14.1 p -72.68 -33.96 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 63.43 111.124 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.6 HD12 HD11 ' A' 1073 ' ' ILE . 13.7 tp -74.27 -35.65 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.958 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.9 t -74.1 -28.04 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.420000000000002 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.77 -38.1 32.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 51.229999999999997 112.485 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.6 HD11 HD12 ' A' 1070 ' ' LEU . 25.6 pt -74.69 -31.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.373 . . . . 72.150000000000006 111.168 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.13 -33.6 53.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 63.030000000000001 112.493 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.42 -32.71 54.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 52.009999999999998 112.466 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.99 -38.49 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 54.43 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.38 -37.85 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.934 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.589 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.5 mp -74.09 -25.5 59.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 65.319999999999993 110.952 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.9 -37.86 58.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 110.904 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 51.2 tp -74.47 -35.22 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.230000000000004 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.26 -34.23 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.420000000000002 110.944 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' 1078 ' ' LEU . 15.7 mt -71.65 -33.7 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 65.129999999999995 111.148 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -39.16 65.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.230000000000004 110.861 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.86 -36.47 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 50.409999999999997 111.14 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1081 ' ' LEU . 14.5 t -67.75 -31.77 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 70.530000000000001 111.125 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 39.8 mt -82.0 -33.33 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.878 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -17.7 59.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 -17.23 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 51.43 110.85 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 73.519999999999996 111.144 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.592 HD23 ' CD2' ' A' 1068 ' ' TYR . 1.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 63.520000000000003 110.91 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.6 p90 -52.43 -25.96 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.937 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.31 -39.73 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.329999999999998 110.968 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1068 ' ' TYR . . . . . 0.592 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.17 -38.07 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.96 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' 1073 ' ' ILE . 14.9 p -72.17 -33.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 75.329999999999998 111.158 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.47 HD12 HD11 ' A' 1073 ' ' ILE . 12.5 tp -74.9 -36.32 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 75.540000000000006 110.874 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -27.86 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.72 -38.17 32.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 70.230000000000004 112.551 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' 1069 ' ' VAL . 28.8 pt -74.48 -31.49 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 64.239999999999995 111.181 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.67 -33.46 51.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 70.099999999999994 112.465 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.59 54.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.735 . . . . 63.020000000000003 112.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.23 -38.8 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.030000000000001 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.56 -36.36 76.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 71.200000000000003 110.92 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.6 mp -74.72 -26.42 59.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.919 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' 1079 ' ' LEU . 0.6 OUTLIER -74.39 -38.68 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.931 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1080 ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' 1080 ' ' LEU . 0.3 OUTLIER -73.23 -37.43 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.109999999999999 110.924 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -75.79 -33.63 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 70.420000000000002 110.944 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.463 HD12 ' O ' ' A' 1078 ' ' LEU . 8.3 mt -69.09 -37.09 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 111.144 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.73 -37.14 70.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 74.230000000000004 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 5.2 mm -73.98 -38.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.439999999999998 111.157 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' 1089 ' ' VAL . 45.0 t -68.1 -31.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 64.329999999999998 111.17 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.59 -46.49 38.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 61.009999999999998 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -14.49 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.030000000000001 110.926 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -90.04 -26.71 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 62.020000000000003 110.94 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 1085 ' ' VAL . 33.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.054 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' 1068 ' ' TYR . 7.8 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.863 0.363 . . . . 64.120000000000005 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.3 p90 -52.49 -25.57 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 70.109999999999999 110.929 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.1 mt -77.67 -40.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.150000000000006 110.909 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1068 ' ' TYR . . . . . 0.423 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.49 -37.42 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 70.329999999999998 110.985 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' 1073 ' ' ILE . 11.8 p -72.88 -32.84 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 74.340000000000003 111.069 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.461 HD12 HD11 ' A' 1073 ' ' ILE . 12.2 tp -75.3 -36.25 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 64.540000000000006 110.839 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 54.7 p -73.64 -28.25 61.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.409999999999997 110.814 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1072 ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.51 -38.2 33.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.240000000000002 112.552 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' 1069 ' ' VAL . 30.7 pt -74.33 -31.14 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 64.140000000000001 111.157 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.55 -33.6 51.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.742 -0.742 . . . . 75.099999999999994 112.497 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.37 53.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 64.109999999999999 112.451 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' 1072 ' ' GLY . 7.0 mt -73.25 -38.42 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 63.310000000000002 110.94 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -37.59 76.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 55.210000000000001 110.935 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.584 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.6 mp -74.57 -25.05 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 43.049999999999997 110.944 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.34 -37.47 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 71.329999999999998 110.924 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.1 -35.01 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 63.340000000000003 110.89 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.49 -34.3 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 110.939 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1078 ' ' LEU . 15.8 mt -71.66 -33.38 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 70.409999999999997 111.137 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -38.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 61.119999999999997 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.2 mt -76.37 -35.96 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 65.239999999999995 111.107 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' 1081 ' ' LEU . 14.2 t -67.6 -33.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 61.509999999999998 111.103 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 45.3 mt -80.54 -34.73 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.540000000000006 110.945 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -17.16 60.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 27.5 pttt -104.24 -16.6 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 64.530000000000001 110.938 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.010000000000005 111.141 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.85 0.357 . . . . 73.200000000000003 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 25.7 p90 -52.12 -24.49 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 110.934 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.79 -40.78 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 63.229999999999997 110.996 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -35.94 75.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' 1073 ' ' ILE . 10.6 p -73.81 -33.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 73.230000000000004 111.054 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.95 -36.6 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 4.0 p -72.22 -29.47 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 110.88 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.17 -39.61 36.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 54.310000000000002 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' 1069 ' ' VAL . 36.7 pt -73.07 -30.69 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 72.5 111.181 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.55 -34.96 52.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 73.010000000000005 112.549 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.88 58.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.668 -0.777 . . . . 53.219999999999999 112.436 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' 1080 ' ' LEU . 5.3 mt -71.69 -40.18 69.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 65.129999999999995 110.874 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.13 -38.59 85.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 51.420000000000002 110.84 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.5 mp -72.82 -26.24 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.230000000000004 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 4.2 tt -75.51 -37.21 60.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 63.329999999999998 110.913 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1080 ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' 1076 ' ' LEU . 4.0 mm? -74.85 -34.86 62.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.949 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.84 -34.26 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 72.209999999999994 110.949 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' 1078 ' ' LEU . 18.3 mt -71.55 -33.2 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.128 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -38.62 62.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.82 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.3 mt -76.61 -33.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 71.519999999999996 111.131 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' 1089 ' ' VAL . 13.3 t -71.58 -30.56 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 111.159 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.11 -29.08 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 61.240000000000002 110.899 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -19.6 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.869 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -88.83 -39.39 13.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 75.519999999999996 110.952 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' 1085 ' ' VAL . 26.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 71.420000000000002 111.124 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.415 HD22 ' CE2' ' A' 1068 ' ' TYR . 18.7 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.826 0.346 . . . . 64.099999999999994 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' 1069 ' ' VAL . 27.6 p90 -53.87 -24.97 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 62.530000000000001 110.931 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.2 -41.12 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 73.129999999999995 110.937 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1068 ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.34 -36.94 77.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.949 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' 1073 ' ' ILE . 11.1 p -73.15 -33.18 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 64.540000000000006 111.101 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.441 HD12 HD11 ' A' 1073 ' ' ILE . 11.9 tp -75.18 -35.59 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.329999999999998 110.92 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.9 t -73.5 -29.01 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 63.450000000000003 110.887 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.44 33.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 74.329999999999998 112.469 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' 1069 ' ' VAL . 24.3 pt -73.47 -31.84 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 65.329999999999998 111.137 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.94 -32.66 56.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 72.120000000000005 112.49 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.59 -32.51 54.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 71.109999999999999 112.532 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.99 -39.76 65.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 75.420000000000002 110.941 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.27 -36.86 77.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.963 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.9 mp -74.55 -26.06 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.899 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1079 ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' 1079 ' ' LEU . 8.2 tt -74.7 -38.56 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 62.32 110.836 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 46.6 mt -72.75 -37.68 67.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.942 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -75.48 -35.08 60.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.959 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' 1078 ' ' LEU . 12.0 mt -68.85 -37.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 53.229999999999997 111.161 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1083 ' ' PHE . . . . . 0.413 ' HA ' HD21 ' A' 1086 ' ' LEU . 3.9 m-85 -70.5 -38.15 74.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.299999999999997 110.85 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1084 ' ' ILE . . . . . 0.583 HG22 ' HD2' ' A' 1088 ' ' LYS . 92.3 mt -77.67 -28.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.040000000000006 111.072 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' 1089 ' ' VAL . 3.5 t -70.95 -38.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.130000000000003 111.167 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' 1087 ' ' TYR . 3.6 pp -77.72 -30.7 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.109999999999999 110.912 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1087 ' ' TYR . . . . . 0.519 ' N ' HD12 ' A' 1086 ' ' LEU . 0.0 OUTLIER -80.24 -17.03 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 53.420000000000002 110.969 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1088 ' ' LYS . . . . . 0.583 ' HD2' HG22 ' A' 1084 ' ' ILE . 32.0 mttp -93.46 -26.09 17.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 70.540000000000006 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' 1085 ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 111.161 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' 1068 ' ' TYR . 6.3 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 75.040000000000006 110.888 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.401 ' HA ' HG12 ' A' 1069 ' ' VAL . 35.9 p90 -52.24 -25.64 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 64.25 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.95 -40.43 47.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1068 ' ' TYR . . . . . 0.462 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -68.91 -38.25 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 73.049999999999997 110.893 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.594 ' O ' HG23 ' A' 1073 ' ' ILE . 13.8 p -72.16 -32.89 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 53.520000000000003 111.114 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.75 -38.01 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 70.219999999999999 110.962 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 40.6 t -72.98 -25.96 61.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 63.32 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -78.92 -37.26 26.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 74.319999999999993 112.487 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' 1069 ' ' VAL . 28.8 pt -76.29 -31.05 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 74.319999999999993 111.115 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -80.71 -34.73 27.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 72.5 112.512 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -77.03 -30.35 55.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 73.420000000000002 112.529 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1076 ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' 1076 ' ' LEU . 0.6 OUTLIER -79.15 -35.59 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.530000000000001 110.976 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.9 -33.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 62.219999999999999 110.95 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.608 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.7 mp -77.73 -27.64 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.886 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.63 -37.37 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.91 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1080 ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' 1076 ' ' LEU . 6.2 mp -74.88 -35.17 62.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 72.329999999999998 110.943 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.74 -33.83 52.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 54.439999999999998 110.859 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' 1078 ' ' LEU . 16.1 mt -71.54 -33.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.209999999999994 111.096 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -38.81 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 75.409999999999997 110.858 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 68.5 mt -75.76 -35.5 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.129999999999995 111.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' 1089 ' ' VAL . 23.6 t -71.19 -30.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 111.088 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.434 ' HA ' HG22 ' A' 1089 ' ' VAL . 37.0 mt -82.58 -27.85 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.230000000000004 110.944 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -17.01 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 71.420000000000002 110.936 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.7 pttm -94.1 -27.18 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.409999999999997 110.865 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1089 ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' 1085 ' ' VAL . 30.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 65.420000000000002 111.174 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1065 ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' 1066 ' ' TYR . 3.7 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 72.129999999999995 110.916 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1066 ' ' TYR . . . . . 0.553 ' N ' HD12 ' A' 1065 ' ' LEU . 32.9 p90 -53.56 -23.8 11.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.39 -42.4 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 74.540000000000006 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -35.05 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 62.109999999999999 110.896 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1069 ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' 1073 ' ' ILE . 7.4 p -74.49 -32.89 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.25 111.141 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1070 ' ' LEU . . . . . 0.682 HD12 HD11 ' A' 1073 ' ' ILE . 17.6 tp -75.73 -34.82 60.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.951 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 2.0 t -74.07 -29.49 61.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.857 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.44 -39.1 36.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 63.32 112.475 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1073 ' ' ILE . . . . . 0.682 HD11 HD12 ' A' 1070 ' ' LEU . 27.5 pt -73.36 -31.23 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 74.319999999999993 111.1 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.4 -34.11 55.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 45.43 112.446 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.47 -33.41 56.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.693 -0.765 . . . . 74.120000000000005 112.517 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.06 -38.59 69.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 51.020000000000003 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.37 -39.12 85.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.911 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1078 ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.8 mp -72.53 -27.55 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 110.873 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 18.2 tp -73.63 -37.86 65.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 71.349999999999994 110.963 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1080 ' ' LEU . . . . . 0.413 ' O ' HG12 ' A' 1084 ' ' ILE . 65.7 mt -71.13 -43.58 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.922 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1081 ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -70.37 -34.71 72.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 74.319999999999993 110.839 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1082 ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' 1078 ' ' LEU . 11.6 mt -69.43 -31.85 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.340000000000003 111.138 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -41.68 69.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.219999999999999 110.85 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1084 ' ' ILE . . . . . 0.646 HG22 ' CE ' ' A' 1088 ' ' LYS . 5.2 mm -74.6 -34.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 70.439999999999998 111.18 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1085 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1081 ' ' LEU . 32.3 t -69.72 -28.84 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 51.329999999999998 111.155 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 29.9 mt -85.27 -30.87 23.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 75.549999999999997 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -13.75 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 65.430000000000007 110.901 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1088 ' ' LYS . . . . . 0.646 ' CE ' HG22 ' A' 1084 ' ' ILE . 17.1 ptpt -101.71 -28.16 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 75.420000000000002 110.921 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 70.519999999999996 111.181 179.769 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.939 0.4 . . . . 34.219999999999999 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -99.15 105.25 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -85.63 -175.41 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 75.120000000000005 111.104 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.14 51.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 72.109999999999999 110.889 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 10.5 p -113.44 -27.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 63.229999999999997 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 41.1 t -65.79 -25.55 36.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 63.200000000000003 111.114 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -101.3 -22.71 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.931 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.26 -75.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 44.43 110.923 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -171.22 93.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.329999999999998 110.878 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -18.75 53.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 70.209999999999994 110.889 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 5.9 mtt 57.34 22.45 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.530000000000001 110.807 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.27 -30.27 25.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 72.400000000000006 110.87 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.421 ' HA ' HG12 ' A' 1069 ' ' VAL . 22.7 p90 -53.86 -23.24 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.200000000000003 110.914 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.41 -42.4 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 70.150000000000006 110.914 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 74.519999999999996 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' 1073 ' ' ILE . 7.2 p -74.5 -33.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 111.111 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.559 HD12 HD11 ' A' 1073 ' ' ILE . 14.0 tp -75.27 -36.62 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 110.849 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -72.18 -30.03 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 60.109999999999999 110.817 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1072 ' ' GLY . . . . . 0.546 ' O ' HD13 ' A' 1076 ' ' LEU . . . -74.7 -39.84 39.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 60.450000000000003 112.433 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.559 HD11 HD12 ' A' 1070 ' ' LEU . 35.1 pt -72.93 -30.62 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 62.420000000000002 111.147 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.37 -34.19 55.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 64.120000000000005 112.454 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.78 -33.95 57.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 75.129999999999995 112.489 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' 1072 ' ' GLY . 7.4 mp -71.37 -40.5 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 55.039999999999999 110.884 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.89 -37.88 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 72.140000000000001 110.91 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.4 mp -73.2 -26.08 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 54.43 110.911 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.72 -37.64 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 71.209999999999994 110.899 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.74 -34.65 62.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 64.109999999999999 110.861 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.73 -34.7 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 75.040000000000006 110.969 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' 1078 ' ' LEU . 18.2 mt -71.3 -33.16 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 53.130000000000003 111.091 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.22 -38.64 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 110.845 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.5 mt -76.87 -34.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 111.106 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' 1089 ' ' VAL . 15.5 t -71.17 -30.03 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 72.019999999999996 111.138 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.551 HD22 ' CD2' ' A' 1091 ' ' PHE . 58.7 mt -83.57 -29.62 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.91 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -20.35 37.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.902 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.23 -40.49 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 110.875 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.672 HG23 ' H ' ' A' 1091 ' ' PHE . 29.2 m -68.11 -29.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.219999999999999 111.124 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 122.39 -10.96 9.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.439999999999998 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.672 ' H ' HG23 ' A' 1089 ' ' VAL . 2.7 m-85 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 73.010000000000005 110.814 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -77.85 -3.96 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 65.420000000000002 110.88 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.9 tttp -81.13 -0.47 40.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 75.209999999999994 110.874 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -119.65 45.99 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 54.210000000000001 110.853 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -174.03 152.81 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.919 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 3.6 tt -89.81 91.15 8.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.040000000000006 110.966 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.14 165.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.938 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -113.31 -31.71 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 64.430000000000007 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? 57.33 48.69 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 65.120000000000005 110.833 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 11.4 ptm -65.77 169.15 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.150000000000006 110.894 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.32 99.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.099999999999994 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -76.1 152.77 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 70.25 111.05 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.14 -0.811 . . . . 72.409999999999997 112.491 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.844 0.354 . . . . 64.310000000000002 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.66 86.93 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.120000000000005 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1056 ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' 1058 ' ' VAL . . . -98.61 34.17 2.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 60.210000000000001 111.151 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1057 ' ' ASP . . . . . 0.753 ' HB3' HD21 ' A' 1065 ' ' LEU . 1.1 m-20 63.5 29.07 15.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.030000000000001 110.848 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1058 ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' 1056 ' ' ALA . 2.6 p -179.68 100.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 54.229999999999997 111.185 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 40.2 t -136.4 -41.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.439999999999998 111.214 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -114.23 177.63 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.329999999999998 110.868 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -54.01 146.22 14.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 62.200000000000003 110.914 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 54.56 91.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.299999999999997 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -59.89 -18.75 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.924 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.16 22.03 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 63.210000000000001 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' 1057 ' ' ASP . 66.0 mt -77.68 -36.5 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.418 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.6 p90 -52.63 -24.44 8.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 110.887 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.19 -41.18 28.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 72.430000000000007 110.961 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -35.36 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.907 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' 1073 ' ' ILE . 8.0 p -74.28 -33.03 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 64.329999999999998 111.123 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.443 HD12 HD11 ' A' 1073 ' ' ILE . 12.3 tp -75.31 -35.99 61.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 53.109999999999999 110.917 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 26.6 t -73.99 -28.1 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.430000000000007 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1072 ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.6 -38.25 32.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 61.100000000000001 112.5 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' 1069 ' ' VAL . 28.7 pt -74.31 -31.5 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 65.099999999999994 111.145 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.98 -33.82 54.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 73.150000000000006 112.485 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.04 -33.1 55.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 62.030000000000001 112.547 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' 1072 ' ' GLY . 6.3 mt -72.47 -38.58 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 73.400000000000006 110.921 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.95 -37.48 78.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 72.140000000000001 110.897 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.604 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.7 mp -73.98 -25.89 60.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.400000000000006 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' 1079 ' ' LEU . 0.5 OUTLIER -76.01 -37.26 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 54.409999999999997 110.925 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -35.09 62.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 73.439999999999998 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.69 -34.38 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 63.119999999999997 110.908 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' 1078 ' ' LEU . 18.6 mt -72.15 -32.26 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 65.329999999999998 111.158 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -74.25 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.925 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.4 mt -76.52 -36.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 71.209999999999994 111.138 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1081 ' ' LEU . 18.0 t -68.93 -31.97 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 53.109999999999999 111.156 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.97 -32.06 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -17.31 55.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.109999999999999 110.925 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.6 pttp -103.26 -16.86 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.329999999999998 110.887 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t -87.15 -32.32 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 64.319999999999993 111.138 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.17 49.52 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 53.039999999999999 112.456 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -128.0 -63.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 75.209999999999994 110.88 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -74.13 -8.38 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 72.430000000000007 110.866 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.97 -174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.06 24.44 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 110.875 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -167.19 114.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.01 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.919 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 19.7 pttm -165.74 177.58 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.129999999999995 110.896 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.49 -62.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 74.430000000000007 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -151.96 116.17 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 72.340000000000003 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 37.8 mtt -115.71 41.22 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 50.43 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -107.8 -29.73 8.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 65.540000000000006 110.879 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -113.15 140.92 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 70.120000000000005 111.108 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.158 -0.801 . . . . 51.350000000000001 112.502 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.924 0.392 . . . . 73.340000000000003 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -92.13 64.77 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.894 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -136.43 178.04 7.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 71.310000000000002 111.073 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.96 85.84 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.019999999999996 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 8.1 p -117.37 -14.07 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 73.450000000000003 111.136 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1059 ' ' VAL . 12.6 t -74.22 -6.28 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 63.450000000000003 111.104 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -101.84 -6.58 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 73.109999999999999 110.918 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -166.93 129.98 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 64.310000000000002 110.825 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 45.7 mmtt 44.08 76.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 74.239999999999995 110.912 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1063 ' ' GLN . . . . . 0.428 ' HB3' HD23 ' A' 1065 ' ' LEU . 1.6 mp0 -56.41 -22.73 33.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 110.926 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.7 mtt 55.82 22.96 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.340000000000003 110.878 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' 1066 ' ' TYR . 3.6 pp -88.75 -21.65 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 73.420000000000002 110.851 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.6 ' N ' HD12 ' A' 1065 ' ' LEU . 19.0 p90 -57.99 -20.03 35.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.83 -46.89 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.430000000000007 110.945 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -33.99 75.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 75.140000000000001 110.83 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' 1073 ' ' ILE . 6.2 p -74.89 -32.49 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 73.349999999999994 111.119 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.578 HD12 HD11 ' A' 1073 ' ' ILE . 14.9 tp -75.67 -36.56 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.907 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 10.6 t -72.51 -29.65 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 44.149999999999999 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -74.85 -39.55 38.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 74.349999999999994 112.446 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.578 HD11 HD12 ' A' 1070 ' ' LEU . 38.5 pt -72.93 -30.83 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 70.219999999999999 111.147 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.22 -34.37 55.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 50.310000000000002 112.481 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.87 -33.73 57.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 74.329999999999998 112.495 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.2 -40.4 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 63.329999999999998 110.866 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.72 -38.13 86.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.974 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.569 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.3 mp -73.25 -25.76 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 64.340000000000003 110.827 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.6 tp -75.96 -37.53 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 52.539999999999999 110.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.6 tp -74.49 -35.02 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.140000000000001 110.918 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.66 -34.58 52.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 61.240000000000002 110.941 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' 1078 ' ' LEU . 19.0 mt -71.53 -32.6 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 44.420000000000002 111.158 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 60.229999999999997 110.876 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.9 mt -76.64 -34.07 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 64.129999999999995 111.187 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' 1089 ' ' VAL . 2.6 t -71.64 -30.6 39.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 55.439999999999998 111.186 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.93 -28.51 29.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 110.891 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -19.86 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.951 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -88.83 -38.9 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.97 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.624 HG23 ' H ' ' A' 1091 ' ' PHE . 27.6 m -68.34 -32.65 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 62.109999999999999 111.129 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.8 -9.42 7.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 51.530000000000001 112.557 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.624 ' H ' HG23 ' A' 1089 ' ' VAL . 3.5 m-85 -59.41 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 73.310000000000002 110.915 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.32 -21.06 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.239999999999995 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.5 tttm -51.73 103.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 64.439999999999998 110.911 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -133.63 -68.58 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 72.540000000000006 110.911 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -80.04 160.89 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.409999999999997 110.959 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.77 143.4 47.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 110.93 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -58.46 -177.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.010000000000005 110.929 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.9 tp10 62.68 37.88 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 65.340000000000003 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -97.13 30.85 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 74.329999999999998 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 9.0 ttt -161.43 164.13 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 74.439999999999998 110.879 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 61.5 44.72 9.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 62.229999999999997 110.961 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -107.35 91.2 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 73.329999999999998 111.082 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.161 -0.799 . . . . 45.32 112.52 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.874 0.369 . . . . 74.129999999999995 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -83.62 79.15 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 71.329999999999998 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -134.06 95.63 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 70.040000000000006 111.088 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.6 t0 63.4 55.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.878 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1058 ' ' VAL . . . . . 0.401 HG11 ' OE1' ' A' 1063 ' ' GLN . 4.3 m -120.55 69.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 74.430000000000007 111.151 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.4 t -131.79 -48.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 111.119 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.37 -45.71 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.130000000000003 110.904 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.66 -164.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.510000000000005 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -139.67 92.84 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 73.209999999999994 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1063 ' ' GLN . . . . . 0.401 ' OE1' HG11 ' A' 1058 ' ' VAL . 35.2 mt-30 -50.68 -23.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 70.450000000000003 110.901 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.5 mtt 61.2 18.48 9.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 63.200000000000003 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -34.06 20.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 74.420000000000002 110.882 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 33.3 p90 -51.82 -28.78 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.968 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.87 -40.33 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.959 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -42.0 84.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' 1073 ' ' ILE . 12.6 p -69.51 -33.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 62.350000000000001 111.132 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.525 HD12 HD11 ' A' 1073 ' ' ILE . 12.7 tp -74.42 -37.12 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 74.340000000000003 110.966 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.0 t -72.53 -28.23 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 73.120000000000005 110.917 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.68 32.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 73.209999999999994 112.537 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' 1069 ' ' VAL . 31.4 pt -74.41 -30.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 62.229999999999997 111.193 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.15 50.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 73.230000000000004 112.528 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.02 54.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 63.399999999999999 112.506 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 -38.37 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 73.549999999999997 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.43 -38.34 77.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.540000000000006 110.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.596 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -73.7 -26.18 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 64.25 110.929 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.53 -38.68 62.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 110.947 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.3 -37.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 64.200000000000003 110.93 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -75.97 -33.79 59.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.884 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' 1078 ' ' LEU . 8.9 mt -69.17 -36.43 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 75.450000000000003 111.108 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.49 -37.04 68.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 73.439999999999998 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1084 ' ' ILE . . . . . 0.459 HG22 ' HD2' ' A' 1088 ' ' LYS . 4.8 mm -74.56 -38.26 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 73.109999999999999 111.13 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' 1089 ' ' VAL . 40.7 t -68.4 -31.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 50.149999999999999 111.128 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.634 HD22 ' CD2' ' A' 1091 ' ' PHE . 33.7 mt -75.25 -46.45 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.975 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -14.97 62.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.109999999999999 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1088 ' ' LYS . . . . . 0.459 ' HD2' HG22 ' A' 1084 ' ' ILE . 75.8 mttt -89.75 -27.46 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 72.040000000000006 110.949 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' 1085 ' ' VAL . 33.5 m -91.21 -31.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 71.430000000000007 111.163 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 124.73 54.36 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.709 . . . . 61.520000000000003 112.456 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.634 ' CD2' HD22 ' A' 1086 ' ' LEU . 3.7 m-85 -125.7 -57.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.338 . . . . 74.310000000000002 110.82 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -90.36 11.69 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 63.200000000000003 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.9 tttp -82.72 0.86 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.65 -47.8 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 73.109999999999999 110.806 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -103.83 167.69 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1096 ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' 1097 ' ' LYS . 1.3 tt -92.2 154.49 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 61.210000000000001 110.882 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1097 ' ' LYS . . . . . 0.596 ' N ' HD23 ' A' 1096 ' ' LEU . 67.0 mttt -52.5 164.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 72.129999999999995 110.947 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -122.24 -46.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.349999999999994 110.863 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -138.33 -175.43 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.310000000000002 110.943 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 30.6 mtt -146.15 139.87 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 73.400000000000006 110.901 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.9 56.08 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 54.539999999999999 110.883 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -91.72 138.4 31.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 70.409999999999997 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 CA-C-O 119.132 -0.816 . . . . 43.520000000000003 112.51 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.883 0.373 . . . . 65.040000000000006 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.69 132.08 33.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 61.219999999999999 110.826 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -98.26 25.92 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 51.439999999999998 111.105 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.18 90.3 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 64.010000000000005 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 28.4 t -132.38 71.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 93.5 t -67.9 -41.04 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 111.146 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -112.33 -176.19 2.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.892 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -113.62 22.77 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 62.130000000000003 110.913 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -79.08 -0.98 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 65.219999999999999 110.863 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -66.27 -11.4 50.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.209999999999994 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 37.4 mmt 57.06 29.33 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 60.509999999999998 110.843 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.12 -42.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 62.310000000000002 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.408 ' HA ' HG12 ' A' 1069 ' ' VAL . 27.2 p90 -51.76 -25.33 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 62.219999999999999 110.935 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.89 -39.38 43.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 73.420000000000002 110.918 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.13 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.120000000000005 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' 1073 ' ' ILE . 12.6 p -72.93 -33.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.216 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.4 tp -75.19 -36.61 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.310000000000002 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 53.8 p -73.29 -27.8 61.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.120000000000005 110.881 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.73 -39.12 29.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 75.239999999999995 112.551 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' 1069 ' ' VAL . 28.9 pt -73.49 -31.21 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 60.43 111.1 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.98 52.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 73.239999999999995 112.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.96 -33.8 56.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 70.010000000000005 112.538 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.45 -40.61 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 64.040000000000006 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.7 tp -68.16 -33.45 74.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 64.230000000000004 110.934 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.693 HD12 HD11 ' A' 1082 ' ' ILE . 0.2 OUTLIER -74.26 -32.85 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 71.109999999999999 110.896 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.611 ' O ' HD13 ' A' 1079 ' ' LEU . 0.7 OUTLIER -70.52 -35.69 73.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 110.891 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -39.12 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 65.200000000000003 110.911 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' 1081 ' ' LEU . 0.2 OUTLIER -77.53 -34.44 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 110.903 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.693 HD11 HD12 ' A' 1078 ' ' LEU . 33.9 mt -70.49 -33.44 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.177 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -74.73 -38.72 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.150000000000006 110.848 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.41 -36.09 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' 1089 ' ' VAL . 32.1 t -70.23 -31.04 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.400000000000006 111.155 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.423 ' HA ' HG22 ' A' 1089 ' ' VAL . 28.8 mt -83.36 -25.83 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.140000000000001 110.911 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -19.14 34.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 74.409999999999997 110.895 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -91.26 -31.96 15.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 74.010000000000005 110.931 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 1085 ' ' VAL . 27.2 m -75.85 -34.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 55.020000000000003 111.11 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 118.31 38.51 0.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 32.439999999999998 112.484 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -109.17 -61.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 74.340000000000003 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -87.53 7.16 30.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.519999999999996 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.0 tptp -78.22 -3.13 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.943 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -75.61 -55.41 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 62.119999999999997 110.843 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.83 138.4 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 110.919 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -42.5 99.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 75.310000000000002 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 39.4 mttm -63.54 124.48 21.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.409999999999997 110.937 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -95.65 -49.46 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 55.109999999999999 110.92 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.8 70.58 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.834 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 5.2 mtm -71.85 -27.11 62.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 71.329999999999998 110.909 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 56.24 31.17 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 74.129999999999995 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -131.29 118.9 21.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 75.329999999999998 111.111 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.13 -0.817 . . . . 73.450000000000003 112.494 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.877 0.37 . . . . 60.509999999999998 110.852 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 15.1 m120 53.8 32.05 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 73.120000000000005 110.917 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -93.17 79.35 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 111.061 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.1 t0 -91.87 53.21 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.439999999999998 110.847 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 22.1 t -117.76 66.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.430000000000007 111.094 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 40.3 t -115.5 -31.0 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 55.340000000000003 111.163 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -84.47 -44.92 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.891 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.36 162.59 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 55.229999999999997 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.51 74.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 71.439999999999998 110.827 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -48.36 -25.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 65.049999999999997 110.945 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.4 mtt 59.91 22.38 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 38.1 mt -81.84 -36.88 27.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.414 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.8 p90 -52.73 -24.79 9.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.917 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.61 -41.61 31.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 43.009999999999998 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.02 75.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.540000000000006 110.928 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' 1073 ' ' ILE . 9.2 p -73.95 -32.79 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 111.091 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.662 HD12 HD11 ' A' 1073 ' ' ILE . 16.8 tp -75.31 -35.7 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 73.540000000000006 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 45.5 t -73.29 -29.48 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.46 -39.5 35.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 60.329999999999998 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.662 HD11 HD12 ' A' 1070 ' ' LEU . 25.4 pt -73.25 -31.04 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 74.140000000000001 111.201 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -33.73 55.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 65.25 112.559 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.31 -33.59 56.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 42.439999999999998 112.528 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.18 -39.56 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 71.109999999999999 110.925 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.8 tp -67.82 -37.8 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.230000000000004 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.594 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.9 mp -73.21 -27.08 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 63.340000000000003 110.921 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' 1079 ' ' LEU . 0.4 OUTLIER -74.19 -38.05 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 75.329999999999998 110.986 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.44 -37.48 65.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 110.892 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -76.06 -33.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.958 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1078 ' ' LEU . 8.7 mt -69.15 -36.39 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 111.165 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -37.61 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 73.349999999999994 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -72.95 -36.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' 1089 ' ' VAL . 14.7 t -72.07 -28.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.319999999999993 111.096 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.3 mt -82.41 -28.03 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.340000000000003 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -19.27 29.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.923 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.3 pttp -89.1 -32.2 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 61.149999999999999 110.907 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' 1085 ' ' VAL . 19.7 m -75.65 -33.67 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 71.129999999999995 111.07 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 130.29 -5.83 5.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 61.399999999999999 112.456 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.512 ' H ' HG23 ' A' 1089 ' ' VAL . 7.1 t80 -60.2 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 74.319999999999993 110.923 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -88.3 -16.88 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 71.319999999999993 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 4.2 tttp -51.25 108.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.925 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -172.54 120.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 61.340000000000003 110.915 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -78.77 76.11 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 54.229999999999997 110.862 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 19.8 tp -97.72 161.39 13.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.329999999999998 110.956 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -54.6 -44.6 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 64.200000000000003 110.903 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 57.92 33.56 23.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 71.400000000000006 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -76.56 76.67 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 74.540000000000006 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 1.5 ttt -166.36 161.42 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 54.549999999999997 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.11 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 75.329999999999998 110.886 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -127.71 89.08 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 111.072 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.164 -0.798 . . . . 75.340000000000003 112.506 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.895 0.378 . . . . 64.319999999999993 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 34.9 m120 -148.1 164.92 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 52.450000000000003 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -108.07 85.56 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 63.409999999999997 111.088 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.28 75.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 71.450000000000003 110.766 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 11.1 m -68.63 -18.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 71.340000000000003 111.137 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.7 t -58.36 -20.4 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 75.349999999999994 111.105 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -106.91 -2.3 21.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 72.430000000000007 110.922 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -160.4 119.51 2.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 71.530000000000001 110.876 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 3.1 mptt 46.34 83.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 54.539999999999999 110.874 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.35 -18.84 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 75.420000000000002 110.978 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 55.09 24.58 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 63.420000000000002 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.12 -38.92 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 62.009999999999998 110.907 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.414 ' HA ' HG12 ' A' 1069 ' ' VAL . 34.9 p90 -51.71 -25.02 6.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 65.099999999999994 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -35.77 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 60.420000000000002 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' 1073 ' ' ILE . 9.5 p -74.23 -32.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 61.329999999999998 111.16 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.504 HD12 HD11 ' A' 1073 ' ' ILE . 13.2 tp -75.44 -35.69 60.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 75.439999999999998 110.878 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -73.58 -29.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 62.140000000000001 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.52 -39.11 36.11 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 61.350000000000001 112.505 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' 1077 ' ' LEU . 26.6 pt -73.52 -31.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 71.439999999999998 111.193 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.83 -33.41 55.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 64.329999999999998 112.513 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.65 -33.77 55.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 44.350000000000001 112.468 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.06 -39.43 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 75.129999999999995 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1077 ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' 1073 ' ' ILE . 7.3 mp -68.4 -37.39 80.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 64.109999999999999 110.931 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.8 mp -73.93 -25.93 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.109999999999999 110.855 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' 1079 ' ' LEU . 0.5 OUTLIER -75.78 -37.59 59.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 74.420000000000002 110.895 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.22 -35.52 63.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 74.310000000000002 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.41 -34.33 54.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.319999999999993 110.939 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' 1078 ' ' LEU . 17.7 mt -72.07 -31.8 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 45.119999999999997 111.137 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -74.95 -39.43 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.510000000000005 110.883 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 66.0 mt -75.93 -35.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.510000000000005 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' 1089 ' ' VAL . 3.4 t -70.72 -32.09 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.310000000000002 111.153 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.424 HD13 ' CE1' ' A' 1092 ' ' PHE . 20.7 mt -80.53 -28.76 37.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.968 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -16.84 40.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 110.842 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -93.66 -26.74 16.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 62.450000000000003 110.896 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' 1085 ' ' VAL . 28.1 m -84.15 -32.55 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 63.219999999999999 111.099 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.68 47.86 0.43 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.77 -0.728 . . . . 73.450000000000003 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -119.64 -61.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 63.149999999999999 110.83 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1092 ' ' PHE . . . . . 0.424 ' CE1' HD13 ' A' 1086 ' ' LEU . 5.0 m-85 -87.18 4.42 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.931 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -76.46 65.47 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 74.120000000000005 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -58.64 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -159.41 128.24 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 44.32 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1096 ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' 1099 ' ' LYS . 0.1 OUTLIER -96.5 110.93 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 45.399999999999999 110.93 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 10.9 pttp -117.51 -27.15 6.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.859 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -78.55 2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 64.409999999999997 110.842 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1099 ' ' LYS . . . . . 0.6 ' HB3' HD12 ' A' 1096 ' ' LEU . 4.3 ptpt -50.81 -31.12 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.881 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -47.75 71.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.919 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -119.86 42.23 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 74.120000000000005 110.914 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -57.67 158.8 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 43.350000000000001 111.192 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.156 -0.802 . . . . 72.200000000000003 112.545 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.831 0.348 . . . . 73.030000000000001 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 10.1 m120 -87.49 106.08 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.329999999999998 110.899 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -117.93 61.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 70.109999999999999 111.137 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -126.35 43.85 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.540000000000006 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 23.0 m -98.49 46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.409999999999997 111.139 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 30.2 t -86.93 -58.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.329999999999998 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -100.75 -55.86 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.540000000000006 110.897 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.05 -163.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 110.855 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -146.53 95.24 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 42.009999999999998 110.932 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1063 ' ' GLN . . . . . 0.421 ' HB3' HD12 ' A' 1065 ' ' LEU . 13.1 mm100 -50.7 -23.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.7 mtt 60.57 21.82 11.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 54.299999999999997 110.838 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' 1068 ' ' TYR . 3.3 mt -78.34 -36.1 46.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 74.209999999999994 110.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.405 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.0 p90 -53.03 -25.66 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 70.329999999999998 110.908 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.5 -40.12 43.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 110.916 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1068 ' ' TYR . . . . . 0.454 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.53 -37.5 77.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 110.96 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' 1073 ' ' ILE . 13.1 p -73.0 -32.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.219999999999999 111.108 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.497 HD12 HD11 ' A' 1073 ' ' ILE . 12.9 tp -75.22 -35.95 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 73.540000000000006 110.93 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 35.7 t -73.52 -28.85 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.409999999999997 110.768 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.92 34.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 72.219999999999999 112.51 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' 1069 ' ' VAL . 29.1 pt -73.76 -31.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 73.219999999999999 111.119 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1074 ' ' GLY . . . . . 0.524 ' HA2' HD23 ' A' 1077 ' ' LEU . . . -75.11 -34.46 52.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 61.039999999999999 112.404 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.72 57.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 53.119999999999997 112.537 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.24 -40.46 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 62.340000000000003 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1077 ' ' LEU . . . . . 0.524 HD23 ' HA2' ' A' 1074 ' ' GLY . 0.7 OUTLIER -69.51 -34.59 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 62.530000000000001 110.867 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' 1081 ' ' LEU . 3.4 mp -74.88 -27.72 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.937 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' 1079 ' ' LEU . 0.2 OUTLIER -73.87 -39.04 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.009999999999998 110.889 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 20.7 tp -72.81 -37.34 67.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 53.229999999999997 110.884 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -76.17 -33.22 59.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 53.009999999999998 110.917 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' 1078 ' ' LEU . 7.1 mt -68.57 -37.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.209999999999994 111.099 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.52 -37.0 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.310000000000002 110.802 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.8 -37.3 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 53.439999999999998 111.099 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' 1089 ' ' VAL . 48.4 t -71.68 -28.56 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 111.15 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.429 HD22 ' CD2' ' A' 1091 ' ' PHE . 16.0 mt -82.96 -26.81 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 72.230000000000004 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -19.19 30.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.219999999999999 110.931 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.66 -32.47 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 74.209999999999994 110.929 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' 1085 ' ' VAL . 23.9 m -74.49 -30.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 52.520000000000003 111.116 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.68 38.25 0.85 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 72.430000000000007 112.493 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.429 ' CD2' HD22 ' A' 1086 ' ' LEU . 2.9 t80 -108.71 -61.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 74.409999999999997 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -93.28 -6.3 47.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 65.140000000000001 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.82 112.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 65.319999999999993 110.841 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -168.28 124.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.099999999999994 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -123.83 76.33 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.129999999999995 110.855 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1096 ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' 1096 ' ' LEU . 0.6 OUTLIER -92.93 -48.76 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.209999999999994 110.887 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 14.6 pttt -62.05 154.16 27.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 71.340000000000003 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -109.39 -31.45 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.099999999999994 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -84.38 81.14 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 72.140000000000001 110.89 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 8.1 mtm -67.95 -40.88 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.299999999999997 110.88 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 57.4 tt0 62.08 43.32 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 60.119999999999997 110.906 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -95.28 145.98 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.400000000000006 111.104 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.109 -0.828 . . . . 51.240000000000002 112.491 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.899 0.38 . . . . 71.140000000000001 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -74.33 142.96 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -104.75 24.04 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.420000000000002 111.105 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.06 71.36 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 74.219999999999999 110.843 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1058 ' ' VAL . . . . . 0.926 HG13 HG23 ' A' 1059 ' ' VAL . 6.8 p -120.72 -31.62 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.230000000000004 111.115 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.926 HG23 HG13 ' A' 1058 ' ' VAL . 4.6 t -119.45 -25.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.420000000000002 111.082 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 23.5 m-85 64.27 15.95 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 74.340000000000003 110.902 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.581 ' HG2' HG12 ' A' 1059 ' ' VAL . 22.3 pt-20 -169.75 123.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 64.150000000000006 110.881 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.5 mmtt 48.21 79.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 60.450000000000003 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -56.68 -20.84 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.120000000000005 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.9 mtt 54.84 25.79 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 36.5 mt -85.85 -39.68 16.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 73.140000000000001 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.413 ' HA ' HG12 ' A' 1069 ' ' VAL . 26.3 p90 -52.62 -24.56 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 74.239999999999995 110.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.6 mt -79.06 -41.67 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.537 . . . . 73.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -35.51 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' 1073 ' ' ILE . 8.4 p -74.09 -33.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 63.219999999999999 111.125 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.646 HD12 HD11 ' A' 1073 ' ' ILE . 16.0 tp -75.19 -35.9 61.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.329999999999998 110.952 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.8 t -73.6 -28.85 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.310000000000002 110.82 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.94 34.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 44.32 112.446 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.646 HD11 HD12 ' A' 1070 ' ' LEU . 30.1 pt -73.6 -31.46 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 71.510000000000005 111.103 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.13 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 62.509999999999998 112.523 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.82 -32.78 56.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.794 -0.717 . . . . 73.140000000000001 112.478 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.39 -38.96 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 73.230000000000004 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.16 -38.81 82.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.897 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -72.78 -26.71 61.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 54.310000000000002 110.973 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.38 -38.23 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1080 ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' 1080 ' ' LEU . 0.4 OUTLIER -73.13 -37.44 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.420000000000002 110.89 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -76.16 -33.71 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 54.210000000000001 110.932 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' 1078 ' ' LEU . 8.6 mt -68.71 -36.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 52.030000000000001 111.199 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.03 -36.88 67.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 71.109999999999999 110.866 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.8 mm -74.57 -36.26 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 60.229999999999997 111.209 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' 1081 ' ' LEU . 40.9 t -73.03 -27.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.200000000000003 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.87 -32.48 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.099999999999994 110.89 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -14.53 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.200000000000003 110.946 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -98.23 -24.87 15.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 74.420000000000002 110.933 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t -79.41 -30.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 130.43 -13.02 5.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 44.119999999999997 112.466 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.13 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 61.310000000000002 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -87.23 5.2 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 110.859 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -82.81 1.52 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.049999999999997 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -26.18 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.916 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.34 28.89 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.81 138.98 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 110.855 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 14.3 pttm -140.65 149.69 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 65.430000000000007 110.927 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.02 -55.87 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 71.409999999999997 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -139.46 105.53 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 70.019999999999996 110.941 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 8.1 mtt -78.14 -25.03 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 72.420000000000002 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 39.35 41.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.915 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -80.14 99.37 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 CA-C-O 119.174 -0.792 . . . . 64.430000000000007 112.477 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 75.310000000000002 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 26.4 m120 58.25 40.18 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 65.349999999999994 110.887 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -144.66 167.4 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 60.530000000000001 111.076 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -98.88 14.47 28.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 63.539999999999999 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 1.8 m -151.83 87.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 111.13 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 52.7 t -57.31 -23.64 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.97 40.15 3.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.897 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 43.25 32.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 65.439999999999998 110.889 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.5 mttt 170.31 103.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 74.450000000000003 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1063 ' ' GLN . . . . . 0.423 ' OE1' HD13 ' A' 1065 ' ' LEU . 4.8 mm-40 -54.53 -22.1 12.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 74.040000000000006 110.959 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.6 mtt 52.19 24.32 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 70.329999999999998 110.924 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.423 HD13 ' OE1' ' A' 1063 ' ' GLN . 0.1 OUTLIER -94.23 -36.58 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 65.049999999999997 110.988 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.1 p90 -52.05 -27.59 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.939 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.34 -40.2 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -40.77 85.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 53.229999999999997 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' 1073 ' ' ILE . 10.7 p -69.62 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.13 -36.93 64.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.010000000000005 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 22.1 t -72.99 -28.18 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 72.129999999999995 110.837 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.51 33.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 73.230000000000004 112.41 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' 1069 ' ' VAL . 34.8 pt -74.03 -31.06 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 73.109999999999999 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.77 -34.87 52.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 61.049999999999997 112.514 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.66 -32.7 57.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 41.119999999999997 112.473 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.03 -39.27 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 73.099999999999994 110.966 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1077 ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' 1073 ' ' ILE . 3.2 mm? -67.79 -38.81 83.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 54.130000000000003 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.603 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.4 mp -72.69 -26.17 61.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.530000000000001 110.916 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.35 -38.96 59.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.923 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.36 -34.81 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.099999999999994 110.923 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.87 -34.3 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.539999999999999 110.875 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' 1078 ' ' LEU . 13.3 mt -70.87 -35.35 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.120000000000005 111.137 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -73.02 -38.19 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 72.430000000000007 110.829 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.79 -35.69 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 62.240000000000002 111.167 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' 1081 ' ' LEU . 13.3 t -67.65 -33.19 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 111.114 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 47.0 mt -81.3 -33.14 32.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.010000000000005 110.955 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -19.91 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 110.941 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 pttt -95.53 -26.7 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 55.310000000000002 110.89 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.31 -28.6 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 41.100000000000001 111.207 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 129.21 -3.12 6.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 53.310000000000002 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 3.7 t80 -63.86 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 74.109999999999999 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -93.87 14.41 19.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 64.219999999999999 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.97 172.33 8.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 53.039999999999999 110.901 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -51.87 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 110.899 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.52 110.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.439999999999998 110.92 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1096 ' ' LEU . . . . . 0.512 HD13 ' N ' ' A' 1097 ' ' LYS . 0.2 OUTLIER -96.26 126.49 41.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 62.200000000000003 110.943 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1097 ' ' LYS . . . . . 0.512 ' N ' HD13 ' A' 1096 ' ' LEU . 56.9 mttm -120.42 169.64 10.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.895 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -127.69 37.15 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.842 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -80.46 -33.61 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 53.8 tpp -112.93 106.66 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.450000000000003 110.89 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.24 52.68 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 71.340000000000003 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -63.0 157.07 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 55.229999999999997 111.085 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.152 -0.805 . . . . 23.109999999999999 112.514 -179.886 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.905 0.383 . . . . 63.329999999999998 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -161.87 148.29 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 62.210000000000001 110.867 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -115.71 53.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 55.020000000000003 111.101 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.85 46.19 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 73.420000000000002 110.915 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 14.0 p -96.92 -27.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 62.009999999999998 111.111 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 47.6 t -54.05 -27.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 71.019999999999996 111.199 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.08 139.37 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 54.329999999999998 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.12 -16.8 45.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 65.010000000000005 110.939 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.06 -1.19 27.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 74.120000000000005 110.881 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1063 ' ' GLN . . . . . 0.454 ' HB3' HD23 ' A' 1065 ' ' LEU . 35.2 mm-40 -65.1 -12.61 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 72.109999999999999 110.917 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 34.0 mmt 58.94 24.05 12.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.510000000000005 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' 1066 ' ' TYR . 4.0 pp -96.54 -23.44 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 65.319999999999993 110.941 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.537 ' N ' HD12 ' A' 1065 ' ' LEU . 27.1 p90 -51.87 -28.34 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.230000000000004 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.66 -50.46 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 62.210000000000001 110.98 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1068 ' ' TYR . . . . . 0.734 ' CE2' HG23 ' A' 1069 ' ' VAL . 0.1 OUTLIER -65.77 -33.93 77.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 72.099999999999994 110.89 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.734 HG23 ' CE2' ' A' 1068 ' ' TYR . 2.5 t -73.42 -35.67 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 111.149 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.444 HD12 HD11 ' A' 1073 ' ' ILE . 12.4 tp -74.17 -35.49 64.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 53.229999999999997 110.913 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 32.1 t -73.76 -28.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.883 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.49 -38.88 31.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 63.409999999999997 112.525 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' 1069 ' ' VAL . 28.5 pt -73.7 -31.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 70.439999999999998 111.146 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.1 53.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.692 -0.766 . . . . 75.150000000000006 112.5 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.75 -32.63 56.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 53.229999999999997 112.464 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.17 -39.87 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 74.510000000000005 110.914 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.34 -38.76 85.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.879 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.591 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.6 mp -73.35 -25.66 60.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.230000000000004 110.898 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' 1079 ' ' LEU . 8.6 tt -76.51 -36.57 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.109999999999999 110.907 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.0 mt -75.36 -35.22 61.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 74.510000000000005 110.913 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.36 -34.7 55.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 74.019999999999996 110.981 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' 1078 ' ' LEU . 19.4 mt -71.8 -33.49 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 64.109999999999999 111.129 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -73.33 -38.84 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.7 mt -76.47 -35.43 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 72.519999999999996 111.168 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' 1081 ' ' LEU . 15.1 t -69.2 -29.88 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 73.549999999999997 111.153 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 64.9 mt -84.49 -30.71 24.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.420000000000002 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -17.25 53.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -102.2 -23.9 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 41.229999999999997 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t -77.04 -32.04 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 70.409999999999997 111.12 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.96 -16.55 6.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 72.209999999999994 112.503 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.34 -60.83 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 72.049999999999997 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -84.22 1.27 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.439999999999998 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.0 tptt -95.89 174.06 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.530000000000001 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.87 100.44 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.329999999999998 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -162.71 157.02 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 61.219999999999999 110.856 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 5.9 tt -79.94 130.28 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 50.439999999999998 110.937 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 29.8 pttt -152.39 153.17 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 65.540000000000006 110.88 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -122.86 1.72 9.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 60.119999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -112.06 101.92 10.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 64.209999999999994 110.931 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 20.6 mmm -88.38 -35.93 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.836 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 39.49 41.73 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 74.329999999999998 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -64.92 112.17 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 54.509999999999998 111.036 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.157 -0.802 . . . . 45.25 112.534 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.883 0.373 . . . . 70.099999999999994 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -67.13 -32.87 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.94 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -142.65 114.55 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 42.340000000000003 111.095 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.37 76.7 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.409999999999997 110.922 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1058 ' ' VAL . . . . . 0.43 HG13 ' HE3' ' A' 1064 ' ' MET . 17.4 t 63.23 64.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 64.329999999999998 111.148 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.9 t -123.63 -40.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 63.409999999999997 111.175 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -127.52 26.89 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 63.420000000000002 110.927 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1061 ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' 1062 ' ' LYS . 10.2 pt-20 -150.58 114.67 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 71.409999999999997 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1062 ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' 1061 ' ' GLU . 1.6 pttt 37.25 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.120000000000005 110.901 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -58.44 -18.25 26.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 71.099999999999994 110.889 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1064 ' ' MET . . . . . 0.43 ' HE3' HG13 ' A' 1058 ' ' VAL . 4.7 mtt 61.48 20.94 11.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.209999999999994 110.964 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' 1068 ' ' TYR . 19.0 mt -84.95 -30.38 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.319999999999993 110.922 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.402 ' HA ' HG12 ' A' 1069 ' ' VAL . 36.6 p90 -52.1 -25.51 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 63.539999999999999 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.04 -40.33 39.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 63.439999999999998 110.917 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1068 ' ' TYR . . . . . 0.413 ' CE2' HD22 ' A' 1065 ' ' LEU . 0.0 OUTLIER -70.08 -36.28 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.219999999999999 110.92 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' 1073 ' ' ILE . 10.7 p -73.99 -32.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 55.229999999999997 111.129 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.475 HD12 HD11 ' A' 1073 ' ' ILE . 13.0 tp -75.29 -36.1 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.010000000000005 110.896 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 12.1 t -74.25 -28.08 61.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1072 ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.72 -37.54 34.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 41.409999999999997 112.523 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' 1069 ' ' VAL . 29.7 pt -74.88 -31.68 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 52.409999999999997 111.121 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.85 -33.25 51.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 74.549999999999997 112.433 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.8 -32.24 54.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 41.229999999999997 112.477 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' 1072 ' ' GLY . 7.2 mt -73.45 -38.54 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 74.310000000000002 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.74 -36.33 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 73.450000000000003 110.918 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.574 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -74.84 -26.79 59.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 110.877 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' 1079 ' ' LEU . 0.6 OUTLIER -74.29 -38.44 63.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 75.209999999999994 110.951 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.23 -37.26 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 74.299999999999997 110.925 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -76.12 -33.52 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.955 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' 1078 ' ' LEU . 8.6 mt -69.18 -36.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 71.200000000000003 111.05 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.63 -37.06 68.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.866 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.39 -38.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 111.104 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' 1081 ' ' LEU . 42.3 t -69.59 -30.04 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 111.158 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.478 HD22 ' CG ' ' A' 1091 ' ' PHE . 50.6 mt -78.91 -42.31 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 70.219999999999999 110.97 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -14.54 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 71.030000000000001 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -99.39 -20.61 16.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 55.32 110.874 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t -90.58 -35.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.310000000000002 111.173 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 128.72 51.64 0.12 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 51.229999999999997 112.427 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.478 ' CG ' HD22 ' A' 1086 ' ' LEU . 7.2 m-85 -124.67 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 60.439999999999998 110.889 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.98 -11.68 43.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 73.219999999999999 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.8 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 62.310000000000002 110.858 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -88.88 -44.92 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 74.109999999999999 110.893 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 20.3 m120 -55.28 136.46 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 54.310000000000002 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 8.5 tt -72.69 -40.66 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.836 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.49 143.2 44.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 53.43 110.922 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -81.61 -56.65 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.009999999999998 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 8.8 ttmm 52.83 44.73 29.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.905 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 23.7 ptt? -103.92 138.01 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 61.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -70.78 -65.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 52.030000000000001 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -130.39 148.26 52.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 50.140000000000001 111.104 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.124 -0.82 . . . . 72.230000000000004 112.483 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.905 0.383 . . . . 75.310000000000002 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -144.83 164.42 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 63.100000000000001 110.9 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 61.329999999999998 111.12 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.69 17.05 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.823 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 20.5 t 51.36 62.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 65.25 111.127 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 24.5 t -72.11 -40.39 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 75.120000000000005 111.069 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -119.55 165.29 14.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 64.239999999999995 110.895 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.38 17.6 14.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.099999999999994 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -0.7 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 73.340000000000003 110.858 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.58 -10.97 50.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 70.340000000000003 110.927 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 35.6 mmt 56.19 25.61 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 44.450000000000003 110.838 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.42 -36.08 15.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 74.040000000000006 110.933 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.0 p90 -51.81 -27.79 13.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.5 -40.2 57.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 75.109999999999999 110.995 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -40.44 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 71.329999999999998 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' 1073 ' ' ILE . 11.3 p -70.13 -33.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 73.409999999999997 111.152 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.687 HD12 HD11 ' A' 1073 ' ' ILE . 13.6 tp -74.44 -36.45 63.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 110.899 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 79.0 p -72.83 -29.01 62.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 73.030000000000001 110.821 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.67 -39.33 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 71.040000000000006 112.487 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.687 HD11 HD12 ' A' 1070 ' ' LEU . 28.9 pt -73.61 -30.89 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 75.340000000000003 111.089 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.73 53.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 64.450000000000003 112.479 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.08 -33.53 56.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 64.099999999999994 112.453 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.49 -39.64 70.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 74.349999999999994 110.846 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.02 -38.97 86.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 74.150000000000006 110.946 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.582 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.9 mp -72.72 -25.98 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.430000000000007 110.92 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.6 tt -76.32 -36.8 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.450000000000003 110.862 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 15.1 mt -74.94 -35.17 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 74.430000000000007 110.938 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.56 -34.64 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.964 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' 1078 ' ' LEU . 18.8 mt -71.94 -33.0 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 63.140000000000001 111.075 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.06 -38.66 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 110.795 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 73.7 mt -76.93 -35.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 60.409999999999997 111.108 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' 1081 ' ' LEU . 16.3 t -70.29 -29.7 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.150000000000006 111.158 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 54.6 mt -84.71 -28.81 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -17.43 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 75.010000000000005 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -100.38 -26.31 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 65.299999999999997 110.896 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t -75.78 -32.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.450000000000003 111.12 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 129.54 -14.91 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.649 -0.786 . . . . 74.5 112.449 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 6.4 t80 -54.15 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 73.030000000000001 110.849 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -81.85 0.21 40.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.481 . . . . 54.43 110.926 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.3 tptp -90.57 171.23 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.883 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.57 48.53 21.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 71.299999999999997 110.911 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 19.8 m120 -149.22 179.85 7.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 74.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.38 92.87 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.109999999999999 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 53.2 mttp -144.01 -178.17 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.877 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -71.26 -41.14 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 44.420000000000002 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt 39.22 41.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.040000000000006 110.837 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1100 ' ' MET . . . . . 0.484 ' O ' ' C ' ' A' 1101 ' ' GLU . 33.2 mtt -68.54 -70.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 110.932 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1101 ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' 1100 ' ' MET . 1.5 pp20? 30.7 52.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 70.219999999999999 110.886 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -70.01 111.21 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 64.340000000000003 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.142 -0.81 . . . . 63.210000000000001 112.474 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.917 0.389 . . . . 75.430000000000007 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.3 m120 -70.27 149.79 47.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 63.140000000000001 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -129.11 153.59 47.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.150000000000006 111.117 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 1.8 t0 -178.68 119.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.310000000000002 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1058 ' ' VAL . . . . . 0.458 HG23 ' CG ' ' A' 1063 ' ' GLN . 2.5 p -156.64 89.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 64.450000000000003 111.13 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 17.8 t -115.76 -38.81 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 52.450000000000003 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -130.27 -73.73 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 75.530000000000001 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -149.91 25.99 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 61.109999999999999 110.923 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -84.37 8.24 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 70.25 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1063 ' ' GLN . . . . . 0.458 ' CG ' HG23 ' A' 1058 ' ' VAL . 25.8 mt-30 -69.13 -10.68 58.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 55.130000000000003 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 28.0 mmt 50.43 31.75 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 65.109999999999999 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' 1068 ' ' TYR . 2.2 mt -89.85 -43.25 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.040000000000006 110.976 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 30.9 p90 -53.34 -23.73 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.955 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.3 mt -78.51 -40.28 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 51.350000000000001 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1068 ' ' TYR . . . . . 0.423 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.18 -37.4 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.9 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' 1073 ' ' ILE . 14.1 p -72.68 -33.96 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 63.43 111.124 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.6 HD12 HD11 ' A' 1073 ' ' ILE . 13.7 tp -74.27 -35.65 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.958 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.9 t -74.1 -28.04 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.420000000000002 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.77 -38.1 32.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 51.229999999999997 112.485 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.6 HD11 HD12 ' A' 1070 ' ' LEU . 25.6 pt -74.69 -31.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.373 . . . . 72.150000000000006 111.168 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.13 -33.6 53.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 63.030000000000001 112.493 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.42 -32.71 54.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 52.009999999999998 112.466 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.99 -38.49 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 54.43 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.38 -37.85 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.934 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.589 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.5 mp -74.09 -25.5 59.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 65.319999999999993 110.952 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.9 -37.86 58.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 110.904 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 51.2 tp -74.47 -35.22 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.230000000000004 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.26 -34.23 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.420000000000002 110.944 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' 1078 ' ' LEU . 15.7 mt -71.65 -33.7 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 65.129999999999995 111.148 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -39.16 65.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.230000000000004 110.861 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.86 -36.47 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 50.409999999999997 111.14 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1081 ' ' LEU . 14.5 t -67.75 -31.77 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 70.530000000000001 111.125 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 39.8 mt -82.0 -33.33 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.878 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -17.7 59.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 -17.23 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 51.43 110.85 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t -86.64 -36.4 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 73.519999999999996 111.144 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 132.49 48.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 63.299999999999997 112.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 -64.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 75.400000000000006 110.898 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -93.53 16.62 13.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 101.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.967 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.4 157.78 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.866 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -115.78 43.19 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 63.140000000000001 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.55 148.2 31.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 60.520000000000003 110.913 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -96.91 133.86 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 63.539999999999999 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.69 -55.05 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 72.099999999999994 110.923 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -130.83 98.91 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 14.8 mmm -69.58 155.24 40.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.843 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -116.36 60.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.510000000000005 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -64.16 123.45 19.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 44.030000000000001 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 CA-C-O 119.164 -0.798 . . . . 54.039999999999999 112.452 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.989 0.423 . . . . 72.150000000000006 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 36.0 m120 -120.6 28.11 8.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 72.120000000000005 110.925 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -65.23 99.78 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 31.440000000000001 111.09 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -161.52 110.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.340000000000003 110.795 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1058 ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' 1058 ' ' VAL . 2.5 p -179.85 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 61.43 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 98.4 t -94.19 -63.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.087 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -52.12 129.16 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 71.010000000000005 110.888 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.9 0.61 49.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 65.109999999999999 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -1.51 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 71.120000000000005 110.864 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1063 ' ' GLN . . . . . 0.473 ' HB3' HD12 ' A' 1065 ' ' LEU . 5.4 mt-30 -66.92 -10.9 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.887 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 38.6 mmt 55.07 28.4 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 110.92 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.592 HD23 ' CD2' ' A' 1068 ' ' TYR . 1.5 mt -92.33 -34.16 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 63.520000000000003 110.91 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.6 p90 -52.43 -25.96 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.937 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.31 -39.73 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.329999999999998 110.968 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1068 ' ' TYR . . . . . 0.592 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.17 -38.07 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.96 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' 1073 ' ' ILE . 14.9 p -72.17 -33.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 75.329999999999998 111.158 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.47 HD12 HD11 ' A' 1073 ' ' ILE . 12.5 tp -74.9 -36.32 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 75.540000000000006 110.874 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -27.86 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.72 -38.17 32.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 70.230000000000004 112.551 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' 1069 ' ' VAL . 28.8 pt -74.48 -31.49 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 64.239999999999995 111.181 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.67 -33.46 51.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 70.099999999999994 112.465 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.59 54.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.735 . . . . 63.020000000000003 112.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.23 -38.8 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.030000000000001 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.56 -36.36 76.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 71.200000000000003 110.92 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.6 mp -74.72 -26.42 59.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.919 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' 1079 ' ' LEU . 0.6 OUTLIER -74.39 -38.68 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 75.230000000000004 110.931 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1080 ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' 1080 ' ' LEU . 0.3 OUTLIER -73.23 -37.43 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.109999999999999 110.924 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -75.79 -33.63 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 70.420000000000002 110.944 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.463 HD12 ' O ' ' A' 1078 ' ' LEU . 8.3 mt -69.09 -37.09 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 111.144 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.73 -37.14 70.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 74.230000000000004 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 5.2 mm -73.98 -38.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.439999999999998 111.157 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' 1089 ' ' VAL . 45.0 t -68.1 -31.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 64.329999999999998 111.17 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' 1091 ' ' PHE . 36.0 mt -74.59 -46.49 38.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 61.009999999999998 110.953 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -14.49 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.030000000000001 110.926 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -90.04 -26.71 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 62.020000000000003 110.94 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 1085 ' ' VAL . 33.7 m -92.32 -31.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.054 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.19 54.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 72.409999999999997 112.485 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.612 ' CD2' HD22 ' A' 1086 ' ' LEU . 4.7 m-85 -126.96 -65.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 74.219999999999999 110.85 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -88.64 -2.9 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 93.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 63.549999999999997 110.89 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -174.23 135.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.030000000000001 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.25 54.63 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -50.03 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 64.439999999999998 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 57.5 mttt -60.17 171.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.847 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 61.5 29.84 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 63.039999999999999 110.871 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -103.89 32.62 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.209999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 4.6 mtt -98.22 -27.4 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 55.030000000000001 110.842 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -107.9 40.52 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 63.310000000000002 110.937 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -96.62 74.85 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.340000000000003 111.152 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.123 -0.821 . . . . 62.439999999999998 112.576 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.944 0.402 . . . . 75.409999999999997 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -81.19 -49.36 10.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 63.409999999999997 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -86.12 137.16 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.140000000000001 111.108 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1057 ' ' ASP . . . . . 0.441 ' H ' HG23 ' A' 1059 ' ' VAL . 0.5 OUTLIER -172.64 115.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 70.109999999999999 110.847 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1058 ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' 1058 ' ' VAL . 13.6 p 39.4 38.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 71.310000000000002 111.081 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' 1057 ' ' ASP . 63.3 t -60.99 -23.8 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 70.030000000000001 111.142 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -83.2 55.65 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 63.229999999999997 110.911 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -174.23 165.69 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.129999999999995 110.892 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -83.7 76.87 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 63.439999999999998 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -48.1 -25.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 63.009999999999998 110.896 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.3 mtt 59.78 20.48 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 72.140000000000001 110.908 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' 1068 ' ' TYR . 7.8 mt -84.1 -36.44 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 64.120000000000005 110.909 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.3 p90 -52.49 -25.57 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 70.109999999999999 110.929 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.1 mt -77.67 -40.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.150000000000006 110.909 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1068 ' ' TYR . . . . . 0.423 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.49 -37.42 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 70.329999999999998 110.985 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' 1073 ' ' ILE . 11.8 p -72.88 -32.84 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 74.340000000000003 111.069 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.461 HD12 HD11 ' A' 1073 ' ' ILE . 12.2 tp -75.3 -36.25 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 64.540000000000006 110.839 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 54.7 p -73.64 -28.25 61.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.409999999999997 110.814 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1072 ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.51 -38.2 33.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.240000000000002 112.552 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' 1069 ' ' VAL . 30.7 pt -74.33 -31.14 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 64.140000000000001 111.157 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.55 -33.6 51.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.742 -0.742 . . . . 75.099999999999994 112.497 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.37 53.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 64.109999999999999 112.451 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' 1072 ' ' GLY . 7.0 mt -73.25 -38.42 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 63.310000000000002 110.94 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -37.59 76.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 55.210000000000001 110.935 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.584 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.6 mp -74.57 -25.05 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 43.049999999999997 110.944 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.34 -37.47 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 71.329999999999998 110.924 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.1 -35.01 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 63.340000000000003 110.89 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.49 -34.3 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 110.939 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1078 ' ' LEU . 15.8 mt -71.66 -33.38 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 70.409999999999997 111.137 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -38.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 61.119999999999997 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.2 mt -76.37 -35.96 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 65.239999999999995 111.107 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' 1081 ' ' LEU . 14.2 t -67.6 -33.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 61.509999999999998 111.103 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 45.3 mt -80.54 -34.73 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.540000000000006 110.945 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -17.16 60.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 27.5 pttt -104.24 -16.6 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 64.530000000000001 110.938 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.3 t -88.69 -34.79 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.010000000000005 111.141 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 128.3 49.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 70.129999999999995 112.468 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.88 -65.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 74.040000000000006 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -90.3 -10.56 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.109999999999999 110.917 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.2 tttm -51.13 103.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -160.54 124.01 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 74.109999999999999 110.895 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.87 54.95 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 42.450000000000003 110.94 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.43 109.9 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.109999999999999 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 41.8 mttm -98.24 154.5 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 52.240000000000002 110.878 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -112.83 -34.25 5.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.319999999999993 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -135.9 113.87 11.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.869 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 18.4 tpp -73.04 -30.97 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 110.849 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -52.42 -41.35 63.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 62.43 110.852 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -99.68 131.12 45.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.510000000000005 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.095 -0.836 . . . . 54.130000000000003 112.531 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.927 0.394 . . . . 63.32 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.57 142.06 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 73.219999999999999 110.877 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -133.7 178.74 6.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 54.350000000000001 111.147 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 3.7 t0 -126.94 27.09 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.819 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -150.53 86.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 72.5 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 67.2 t -110.74 -51.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 111.087 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -101.07 -65.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 73.540000000000006 110.928 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -115.81 -164.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 60.030000000000001 110.875 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 8.8 mttp 66.64 12.49 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.931 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -62.38 -26.08 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.942 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1064 ' ' MET . . . . . 0.68 ' HB3' HD12 ' A' 1067 ' ' LEU . 31.4 mmt 47.58 27.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.310000000000002 110.868 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.2 -37.13 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 25.7 p90 -52.12 -24.49 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 110.934 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1067 ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' 1064 ' ' MET . 7.7 mt -78.79 -40.78 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 63.229999999999997 110.996 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -35.94 75.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' 1073 ' ' ILE . 10.6 p -73.81 -33.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 73.230000000000004 111.054 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.95 -36.6 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 4.0 p -72.22 -29.47 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 110.88 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.17 -39.61 36.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 54.310000000000002 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' 1069 ' ' VAL . 36.7 pt -73.07 -30.69 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 72.5 111.181 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.55 -34.96 52.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 73.010000000000005 112.549 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.88 58.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.668 -0.777 . . . . 53.219999999999999 112.436 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' 1080 ' ' LEU . 5.3 mt -71.69 -40.18 69.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 65.129999999999995 110.874 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.13 -38.59 85.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 51.420000000000002 110.84 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.5 mp -72.82 -26.24 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.230000000000004 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 4.2 tt -75.51 -37.21 60.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 63.329999999999998 110.913 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1080 ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' 1076 ' ' LEU . 4.0 mm? -74.85 -34.86 62.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 110.949 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.84 -34.26 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 72.209999999999994 110.949 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' 1078 ' ' LEU . 18.3 mt -71.55 -33.2 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.128 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -38.62 62.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.82 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.3 mt -76.61 -33.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 71.519999999999996 111.131 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' 1089 ' ' VAL . 13.3 t -71.58 -30.56 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 111.159 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.11 -29.08 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 61.240000000000002 110.899 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -19.6 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.869 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -88.83 -39.39 13.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 75.519999999999996 110.952 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.628 HG23 ' H ' ' A' 1091 ' ' PHE . 26.1 m -67.9 -32.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 71.420000000000002 111.124 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 124.71 -7.12 8.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 60.039999999999999 112.507 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.628 ' H ' HG23 ' A' 1089 ' ' VAL . 6.7 t80 -51.62 -55.39 19.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.349999999999994 110.865 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -84.83 3.52 37.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 70.439999999999998 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.81 7.65 40.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 65.340000000000003 110.883 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -74.58 -41.57 60.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 25.0 m120 -129.16 164.17 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1096 ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' 1097 ' ' LYS . 0.3 OUTLIER -80.6 125.28 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.996 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1097 ' ' LYS . . . . . 0.463 ' N ' HD13 ' A' 1096 ' ' LEU . 55.3 mttt -51.83 147.02 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 54.450000000000003 110.934 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -100.76 25.54 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.140000000000001 110.869 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.28 77.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 75.310000000000002 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 3.3 ptt? -109.63 -33.54 6.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -110.52 37.71 2.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 72.439999999999998 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -77.24 95.75 4.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 63.439999999999998 111.095 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.116 -0.824 . . . . 42.509999999999998 112.531 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.869 0.366 . . . . 61.229999999999997 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 7.8 m120 -90.49 -44.33 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.010000000000005 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -86.11 177.54 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 60.130000000000003 111.078 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 30.4 t0 -96.67 6.46 48.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1058 ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' 1058 ' ' VAL . 2.6 p 179.77 101.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.120000000000005 111.071 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.4 t -113.56 -28.38 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 73.310000000000002 111.137 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -51.85 162.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -24.39 38.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 73.409999999999997 110.829 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.96 92.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 73.310000000000002 110.874 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -21.98 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 58.85 20.15 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.329999999999998 110.832 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.415 HD22 ' CE2' ' A' 1068 ' ' TYR . 18.7 mt -78.79 -26.77 44.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.419 . . . . 64.099999999999994 110.914 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' 1069 ' ' VAL . 27.6 p90 -53.87 -24.97 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 62.530000000000001 110.931 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.2 -41.12 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 73.129999999999995 110.937 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1068 ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.34 -36.94 77.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.949 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' 1073 ' ' ILE . 11.1 p -73.15 -33.18 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 64.540000000000006 111.101 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.441 HD12 HD11 ' A' 1073 ' ' ILE . 11.9 tp -75.18 -35.59 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.329999999999998 110.92 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.9 t -73.5 -29.01 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 63.450000000000003 110.887 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.44 33.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 74.329999999999998 112.469 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' 1069 ' ' VAL . 24.3 pt -73.47 -31.84 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 65.329999999999998 111.137 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.94 -32.66 56.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 72.120000000000005 112.49 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.59 -32.51 54.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 71.109999999999999 112.532 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.99 -39.76 65.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 75.420000000000002 110.941 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.27 -36.86 77.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.963 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.9 mp -74.55 -26.06 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.899 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1079 ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' 1079 ' ' LEU . 8.2 tt -74.7 -38.56 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 62.32 110.836 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 46.6 mt -72.75 -37.68 67.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.942 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -75.48 -35.08 60.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.959 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' 1078 ' ' LEU . 12.0 mt -68.85 -37.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 53.229999999999997 111.161 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1083 ' ' PHE . . . . . 0.413 ' HA ' HD21 ' A' 1086 ' ' LEU . 3.9 m-85 -70.5 -38.15 74.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.299999999999997 110.85 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1084 ' ' ILE . . . . . 0.583 HG22 ' HD2' ' A' 1088 ' ' LYS . 92.3 mt -77.67 -28.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.040000000000006 111.072 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' 1089 ' ' VAL . 3.5 t -70.95 -38.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.130000000000003 111.167 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' 1087 ' ' TYR . 3.6 pp -77.72 -30.7 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.109999999999999 110.912 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1087 ' ' TYR . . . . . 0.519 ' N ' HD12 ' A' 1086 ' ' LEU . 0.0 OUTLIER -80.24 -17.03 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 53.420000000000002 110.969 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1088 ' ' LYS . . . . . 0.583 ' HD2' HG22 ' A' 1084 ' ' ILE . 32.0 mttp -93.46 -26.09 17.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 70.540000000000006 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' 1085 ' ' VAL . 34.9 m -85.13 -25.5 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 111.161 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.44 53.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 73.019999999999996 112.458 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 1.5 t80 -123.15 -50.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 75.409999999999997 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1092 ' ' PHE . . . . . 0.486 ' CD1' HD13 ' A' 1086 ' ' LEU . 3.1 m-30 -105.97 49.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.239999999999995 110.902 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -91.65 15.1 13.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 60.200000000000003 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -104.29 -27.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 73.150000000000006 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -108.64 106.31 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.903 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 11.0 tp -90.14 146.0 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 54.109999999999999 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 21.4 pttp -113.34 134.9 54.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.834 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.37 -29.51 69.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 74.019999999999996 110.896 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? 39.21 41.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.120000000000005 110.886 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -39.48 91.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.439999999999998 110.946 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 59.86 50.54 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.937 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -59.53 148.61 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 63.25 111.175 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.139 -0.812 . . . . 73.150000000000006 112.459 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.864 0.364 . . . . 55.130000000000003 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 31.2 m120 -107.43 125.26 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 74.230000000000004 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -96.11 92.75 6.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 70.219999999999999 111.105 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.51 111.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 24.7 t -122.53 66.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 55.450000000000003 111.17 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 23.2 t -119.03 -31.62 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 63.030000000000001 111.208 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -90.2 -31.15 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 53.240000000000002 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -57.74 163.73 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 73.120000000000005 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 16.5 mttm -74.04 74.17 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 71.310000000000002 110.875 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.6 -25.43 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.4 mtt 59.97 20.97 10.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.519999999999996 110.866 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' 1068 ' ' TYR . 6.3 mt -77.64 -43.61 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 75.040000000000006 110.888 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.401 ' HA ' HG12 ' A' 1069 ' ' VAL . 35.9 p90 -52.24 -25.64 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 64.25 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.95 -40.43 47.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1068 ' ' TYR . . . . . 0.462 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -68.91 -38.25 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 73.049999999999997 110.893 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.594 ' O ' HG23 ' A' 1073 ' ' ILE . 13.8 p -72.16 -32.89 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 53.520000000000003 111.114 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.75 -38.01 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 70.219999999999999 110.962 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 40.6 t -72.98 -25.96 61.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 63.32 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -78.92 -37.26 26.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 74.319999999999993 112.487 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' 1069 ' ' VAL . 28.8 pt -76.29 -31.05 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 74.319999999999993 111.115 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -80.71 -34.73 27.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 72.5 112.512 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -77.03 -30.35 55.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 73.420000000000002 112.529 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1076 ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' 1076 ' ' LEU . 0.6 OUTLIER -79.15 -35.59 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.530000000000001 110.976 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.9 -33.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 62.219999999999999 110.95 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.608 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.7 mp -77.73 -27.64 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.886 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.63 -37.37 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.91 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1080 ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' 1076 ' ' LEU . 6.2 mp -74.88 -35.17 62.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 72.329999999999998 110.943 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.74 -33.83 52.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 54.439999999999998 110.859 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' 1078 ' ' LEU . 16.1 mt -71.54 -33.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.209999999999994 111.096 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -38.81 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 75.409999999999997 110.858 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 68.5 mt -75.76 -35.5 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.129999999999995 111.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' 1089 ' ' VAL . 23.6 t -71.19 -30.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 111.088 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.434 ' HA ' HG22 ' A' 1089 ' ' VAL . 37.0 mt -82.58 -27.85 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.230000000000004 110.944 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -17.01 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 71.420000000000002 110.936 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.7 pttm -94.1 -27.18 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.409999999999997 110.865 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1089 ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' 1085 ' ' VAL . 30.3 m -83.77 -24.54 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 65.420000000000002 111.174 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 108.61 49.47 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 43.32 112.478 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -123.09 -49.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.355 . . . . 75.450000000000003 110.848 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -104.88 3.46 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 72.310000000000002 110.849 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 7.7 tttt -54.0 109.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 73.5 110.946 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -57.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 51.009999999999998 110.836 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 35.6 m120 -145.6 165.67 28.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.109999999999999 110.917 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1096 ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' 1096 ' ' LEU . 0.4 OUTLIER -95.9 102.93 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 74.230000000000004 110.906 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -71.05 147.0 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.450000000000003 110.899 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.64 -26.34 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.129999999999995 110.944 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -83.94 -33.03 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 63.539999999999999 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 12.5 ttt -111.22 156.42 21.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 72.019999999999996 110.911 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 2.4 tp10 57.45 26.31 12.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -81.13 83.81 6.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 71.310000000000002 111.036 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.117 -0.824 . . . . 75.129999999999995 112.501 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.849 0.357 . . . . 32.030000000000001 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 19.1 m120 -135.23 86.09 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 72.400000000000006 110.946 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -105.15 28.91 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 64.549999999999997 111.094 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.3 t0 -174.94 111.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 74.439999999999998 110.944 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 18.1 t -113.81 61.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.239999999999995 111.103 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 61.5 t -122.03 -31.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 111.16 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -54.94 176.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.897 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -116.96 -15.23 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.239999999999995 110.877 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.85 17.24 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.430000000000007 110.877 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1063 ' ' GLN . . . . . 0.554 ' HB3' HD23 ' A' 1065 ' ' LEU . 8.9 mt-30 -64.52 -17.76 64.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 63.329999999999998 110.918 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 29.6 mmt 50.24 28.54 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.832 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1065 ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' 1063 ' ' GLN . 3.7 pp -96.77 -20.46 18.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 72.129999999999995 110.916 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1066 ' ' TYR . . . . . 0.553 ' N ' HD12 ' A' 1065 ' ' LEU . 32.9 p90 -53.56 -23.8 11.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.39 -42.4 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 74.540000000000006 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -35.05 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 62.109999999999999 110.896 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' 1073 ' ' ILE . 7.4 p -74.49 -32.89 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.25 111.141 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1070 ' ' LEU . . . . . 0.682 HD12 HD11 ' A' 1073 ' ' ILE . 17.6 tp -75.73 -34.82 60.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.951 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 2.0 t -74.07 -29.49 61.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.857 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.44 -39.1 36.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 63.32 112.475 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1073 ' ' ILE . . . . . 0.682 HD11 HD12 ' A' 1070 ' ' LEU . 27.5 pt -73.36 -31.23 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 74.319999999999993 111.1 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.4 -34.11 55.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 45.43 112.446 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.47 -33.41 56.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.693 -0.765 . . . . 74.120000000000005 112.517 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.06 -38.59 69.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 51.020000000000003 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.37 -39.12 85.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 73.129999999999995 110.911 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1078 ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.8 mp -72.53 -27.55 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 110.873 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 18.2 tp -73.63 -37.86 65.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 71.349999999999994 110.963 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1080 ' ' LEU . . . . . 0.413 ' O ' HG12 ' A' 1084 ' ' ILE . 65.7 mt -71.13 -43.58 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.922 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1081 ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -70.37 -34.71 72.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 74.319999999999993 110.839 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1082 ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' 1078 ' ' LEU . 11.6 mt -69.43 -31.85 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.340000000000003 111.138 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -41.68 69.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.219999999999999 110.85 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1084 ' ' ILE . . . . . 0.646 HG22 ' CE ' ' A' 1088 ' ' LYS . 5.2 mm -74.6 -34.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 70.439999999999998 111.18 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1085 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1081 ' ' LEU . 32.3 t -69.72 -28.84 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 51.329999999999998 111.155 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' 1091 ' ' PHE . 29.9 mt -85.27 -30.87 23.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 75.549999999999997 110.917 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -13.75 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 65.430000000000007 110.901 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1088 ' ' LYS . . . . . 0.646 ' CE ' HG22 ' A' 1084 ' ' ILE . 17.1 ptpt -101.71 -28.16 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 75.420000000000002 110.921 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.9 t -75.12 -31.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 70.519999999999996 111.181 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 131.5 -9.85 5.55 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 61.530000000000001 112.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1091 ' ' PHE . . . . . 0.503 ' CG ' HD22 ' A' 1086 ' ' LEU . 0.2 OUTLIER -59.16 -65.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 74.310000000000002 110.88 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -85.22 -18.42 34.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.3 tttm -51.19 116.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 65.109999999999999 110.866 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -57.51 134.96 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 54.530000000000001 110.935 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -170.93 162.67 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.109999999999999 110.945 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.24 95.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 65.209999999999994 110.885 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 30.9 mttm -121.75 -50.43 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 64.030000000000001 110.854 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 16.8 tt0 62.86 38.8 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 60.030000000000001 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -113.96 78.31 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 71.150000000000006 110.899 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 3.8 tpp -66.62 126.95 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 70.319999999999993 110.895 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -118.09 63.53 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 110.917 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -83.28 79.67 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.127 -0.818 . . . . 64.030000000000001 112.472 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.341 . . . . 72.4 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.421 ' HA ' HG12 ' A' 1069 ' ' VAL . 22.7 p90 -53.86 -23.24 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.914 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.41 -42.4 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 70.15 110.914 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' 1073 ' ' ILE . 7.2 p -74.5 -33.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 72.45 111.111 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.559 HD12 HD11 ' A' 1073 ' ' ILE . 14.0 tp -75.27 -36.62 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.849 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -72.18 -30.03 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 60.11 110.817 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . 0.546 ' O ' HD13 ' A' 1076 ' ' LEU . . . -74.7 -39.84 39.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 60.45 112.433 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.559 HD11 HD12 ' A' 1070 ' ' LEU . 35.1 pt -72.93 -30.62 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 62.42 111.147 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.37 -34.19 55.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 64.12 112.454 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.78 -33.95 57.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 75.13 112.489 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' 1072 ' ' GLY . 7.4 mp -71.37 -40.5 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 55.04 110.884 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.89 -37.88 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 72.14 110.91 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.4 mp -73.2 -26.08 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 54.43 110.911 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.72 -37.64 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.899 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.74 -34.65 62.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 64.11 110.861 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.73 -34.7 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 75.04 110.969 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' 1078 ' ' LEU . 18.2 mt -71.3 -33.16 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 53.13 111.091 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.22 -38.64 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.845 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.5 mt -76.87 -34.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.1 111.106 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' 1089 ' ' VAL . 15.5 t -71.17 -30.03 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 72.02 111.138 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.7 mt -83.57 -29.62 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.91 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -20.35 37.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.902 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.23 -40.49 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.875 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' 1085 ' ' VAL . 29.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.124 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.807 0.337 . . . . 75.1 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.418 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.6 p90 -52.63 -24.44 8.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 72.44 110.887 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.19 -41.18 28.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 72.43 110.961 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -35.36 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.907 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' 1073 ' ' ILE . 8.0 p -74.28 -33.03 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 64.33 111.123 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.443 HD12 HD11 ' A' 1073 ' ' ILE . 12.3 tp -75.31 -35.99 61.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 53.11 110.917 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 26.6 t -73.99 -28.1 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.6 -38.25 32.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 61.1 112.5 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' 1069 ' ' VAL . 28.7 pt -74.31 -31.5 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 65.1 111.145 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.98 -33.82 54.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 73.15 112.485 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.04 -33.1 55.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 62.03 112.547 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' 1072 ' ' GLY . 6.3 mt -72.47 -38.58 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 73.4 110.921 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.95 -37.48 78.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 72.14 110.897 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.604 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.7 mp -73.98 -25.89 60.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.4 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' 1079 ' ' LEU . 0.5 OUTLIER -76.01 -37.26 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 54.41 110.925 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -35.09 62.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.69 -34.38 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 63.12 110.908 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' 1078 ' ' LEU . 18.6 mt -72.15 -32.26 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 65.33 111.158 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -74.25 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.925 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.4 mt -76.52 -36.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 71.21 111.138 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1081 ' ' LEU . 18.0 t -68.93 -31.97 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 53.11 111.156 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.97 -32.06 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 74.4 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -17.31 55.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.925 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.6 pttp -103.26 -16.86 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.887 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 64.32 111.138 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' 1066 ' ' TYR . 3.6 pp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.774 0.321 . . . . 73.42 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.6 ' N ' HD12 ' A' 1065 ' ' LEU . 19.0 p90 -57.99 -20.03 35.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.83 -46.89 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.945 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -33.99 75.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 75.14 110.83 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' 1073 ' ' ILE . 6.2 p -74.89 -32.49 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 73.35 111.119 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.578 HD12 HD11 ' A' 1073 ' ' ILE . 14.9 tp -75.67 -36.56 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.907 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 10.6 t -72.51 -29.65 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 44.15 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -74.85 -39.55 38.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 74.35 112.446 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.578 HD11 HD12 ' A' 1070 ' ' LEU . 38.5 pt -72.93 -30.83 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 70.22 111.147 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.22 -34.37 55.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 50.31 112.481 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.87 -33.73 57.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.495 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.2 -40.4 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 63.33 110.866 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.72 -38.13 86.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.974 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.569 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.3 mp -73.25 -25.76 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 64.34 110.827 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.6 tp -75.96 -37.53 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 52.54 110.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.6 tp -74.49 -35.02 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.14 110.918 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.66 -34.58 52.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 61.24 110.941 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' 1078 ' ' LEU . 19.0 mt -71.53 -32.6 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 44.42 111.158 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 60.23 110.876 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.9 mt -76.64 -34.07 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 64.13 111.187 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' 1089 ' ' VAL . 2.6 t -71.64 -30.6 39.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 55.44 111.186 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.93 -28.51 29.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.891 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -19.86 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.951 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -88.83 -38.9 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.97 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' 1085 ' ' VAL . 27.6 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 62.11 111.129 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.42 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 33.3 p90 -51.82 -28.78 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.968 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.87 -40.33 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.959 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -42.0 84.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' 1073 ' ' ILE . 12.6 p -69.51 -33.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 62.35 111.132 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.525 HD12 HD11 ' A' 1073 ' ' ILE . 12.7 tp -74.42 -37.12 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.966 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.0 t -72.53 -28.23 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 73.12 110.917 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.68 32.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 73.21 112.537 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' 1069 ' ' VAL . 31.4 pt -74.41 -30.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 62.23 111.193 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.15 50.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 73.23 112.528 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.02 54.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 63.4 112.506 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 -38.37 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 73.55 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.43 -38.34 77.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.596 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -73.7 -26.18 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 64.25 110.929 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.53 -38.68 62.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.947 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.3 -37.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 64.2 110.93 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -75.97 -33.79 59.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.884 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' 1078 ' ' LEU . 8.9 mt -69.17 -36.43 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 75.45 111.108 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.49 -37.04 68.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 73.44 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . 0.459 HG22 ' HD2' ' A' 1088 ' ' LYS . 4.8 mm -74.56 -38.26 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 73.11 111.13 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' 1089 ' ' VAL . 40.7 t -68.4 -31.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 50.15 111.128 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.25 -46.45 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.975 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -14.97 62.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.11 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . 0.459 ' HD2' HG22 ' A' 1084 ' ' ILE . 75.8 mttt -89.75 -27.46 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 72.04 110.949 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' 1085 ' ' VAL . 33.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 71.43 111.163 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.838 0.351 . . . . 62.31 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.408 ' HA ' HG12 ' A' 1069 ' ' VAL . 27.2 p90 -51.76 -25.33 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 62.22 110.935 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.89 -39.38 43.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 73.42 110.918 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.13 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' 1073 ' ' ILE . 12.6 p -72.93 -33.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.216 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.4 tp -75.19 -36.61 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 53.8 p -73.29 -27.8 61.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.881 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.73 -39.12 29.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 75.24 112.551 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' 1069 ' ' VAL . 28.9 pt -73.49 -31.21 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 60.43 111.1 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.98 52.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 73.24 112.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.96 -33.8 56.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 70.01 112.538 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.45 -40.61 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 64.04 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.7 tp -68.16 -33.45 74.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 64.23 110.934 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.693 HD12 HD11 ' A' 1082 ' ' ILE . 0.2 OUTLIER -74.26 -32.85 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 71.11 110.896 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.611 ' O ' HD13 ' A' 1079 ' ' LEU . 0.7 OUTLIER -70.52 -35.69 73.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.891 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -39.12 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 65.2 110.911 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' 1081 ' ' LEU . 0.2 OUTLIER -77.53 -34.44 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.903 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.693 HD11 HD12 ' A' 1078 ' ' LEU . 33.9 mt -70.49 -33.44 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.177 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -74.73 -38.72 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.848 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.41 -36.09 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 71.13 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' 1089 ' ' VAL . 32.1 t -70.23 -31.04 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.155 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.423 ' HA ' HG22 ' A' 1089 ' ' VAL . 28.8 mt -83.36 -25.83 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.911 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -19.14 34.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.895 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -91.26 -31.96 15.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.931 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 1085 ' ' VAL . 27.2 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 55.02 111.11 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.819 0.342 . . . . 73.22 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.414 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.8 p90 -52.73 -24.79 9.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.917 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.61 -41.61 31.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 43.01 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.02 75.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.54 110.928 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' 1073 ' ' ILE . 9.2 p -73.95 -32.79 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 72.32 111.091 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.662 HD12 HD11 ' A' 1073 ' ' ILE . 16.8 tp -75.31 -35.7 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 45.5 t -73.29 -29.48 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.46 -39.5 35.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 60.33 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.662 HD11 HD12 ' A' 1070 ' ' LEU . 25.4 pt -73.25 -31.04 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 74.14 111.201 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -33.73 55.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 65.25 112.559 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.31 -33.59 56.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 42.44 112.528 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.18 -39.56 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 71.11 110.925 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.8 tp -67.82 -37.8 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.23 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.594 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.9 mp -73.21 -27.08 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.921 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' 1079 ' ' LEU . 0.4 OUTLIER -74.19 -38.05 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.986 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.44 -37.48 65.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.03 110.892 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -76.06 -33.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.958 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1078 ' ' LEU . 8.7 mt -69.15 -36.39 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 73.23 111.165 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -37.61 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -72.95 -36.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' 1089 ' ' VAL . 14.7 t -72.07 -28.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.32 111.096 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.3 mt -82.41 -28.03 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.34 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -19.27 29.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.923 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.3 pttp -89.1 -32.2 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 61.15 110.907 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' 1085 ' ' VAL . 19.7 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.07 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 62.01 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.414 ' HA ' HG12 ' A' 1069 ' ' VAL . 34.9 p90 -51.71 -25.02 6.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -35.77 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 60.42 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' 1073 ' ' ILE . 9.5 p -74.23 -32.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 61.33 111.16 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.504 HD12 HD11 ' A' 1073 ' ' ILE . 13.2 tp -75.44 -35.69 60.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.878 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -73.58 -29.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 62.14 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.52 -39.11 36.11 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 61.35 112.505 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' 1077 ' ' LEU . 26.6 pt -73.52 -31.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 71.44 111.193 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.83 -33.41 55.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 64.33 112.513 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.65 -33.77 55.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 44.35 112.468 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.06 -39.43 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 75.13 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' 1073 ' ' ILE . 7.3 mp -68.4 -37.39 80.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.931 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.8 mp -73.93 -25.93 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.855 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' 1079 ' ' LEU . 0.5 OUTLIER -75.78 -37.59 59.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.895 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.22 -35.52 63.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 74.31 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.41 -34.33 54.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.32 110.939 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' 1078 ' ' LEU . 17.7 mt -72.07 -31.8 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 45.12 111.137 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -74.95 -39.43 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.51 110.883 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 66.0 mt -75.93 -35.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.51 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' 1089 ' ' VAL . 3.4 t -70.72 -32.09 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.31 111.153 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.411 ' HA ' HG22 ' A' 1089 ' ' VAL . 20.7 mt -80.53 -28.76 37.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.968 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -16.84 40.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.842 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -93.66 -26.74 16.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 62.45 110.896 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' 1085 ' ' VAL . 28.1 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 63.22 111.099 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' 1068 ' ' TYR . 3.3 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.893 0.378 . . . . 74.21 110.96 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.405 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.0 p90 -53.03 -25.66 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 70.33 110.908 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.5 -40.12 43.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.916 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . 0.454 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.53 -37.5 77.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 71.23 110.96 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' 1073 ' ' ILE . 13.1 p -73.0 -32.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.22 111.108 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.497 HD12 HD11 ' A' 1073 ' ' ILE . 12.9 tp -75.22 -35.95 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 73.54 110.93 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 35.7 t -73.52 -28.85 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.768 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.92 34.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 72.22 112.51 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' 1069 ' ' VAL . 29.1 pt -73.76 -31.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 73.22 111.119 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . 0.524 ' HA2' HD23 ' A' 1077 ' ' LEU . . . -75.11 -34.46 52.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 61.04 112.404 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.72 57.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 53.12 112.537 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.24 -40.46 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 62.34 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . 0.524 HD23 ' HA2' ' A' 1074 ' ' GLY . 0.7 OUTLIER -69.51 -34.59 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 62.53 110.867 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' 1081 ' ' LEU . 3.4 mp -74.88 -27.72 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.937 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' 1079 ' ' LEU . 0.2 OUTLIER -73.87 -39.04 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.01 110.889 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 20.7 tp -72.81 -37.34 67.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 53.23 110.884 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -76.17 -33.22 59.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 53.01 110.917 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' 1078 ' ' LEU . 7.1 mt -68.57 -37.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.099 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.52 -37.0 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.31 110.802 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.8 -37.3 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 53.44 111.099 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' 1089 ' ' VAL . 48.4 t -71.68 -28.56 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 64.53 111.15 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 16.0 mt -82.96 -26.81 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 72.23 110.93 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -19.19 30.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.22 110.931 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.66 -32.47 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 74.21 110.929 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' 1085 ' ' VAL . 23.9 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 52.52 111.116 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.826 0.346 . . . . 73.14 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.413 ' HA ' HG12 ' A' 1069 ' ' VAL . 26.3 p90 -52.62 -24.56 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.6 mt -79.06 -41.67 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.537 . . . . 73.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -35.51 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' 1073 ' ' ILE . 8.4 p -74.09 -33.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 63.22 111.125 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.646 HD12 HD11 ' A' 1073 ' ' ILE . 16.0 tp -75.19 -35.9 61.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.33 110.952 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.8 t -73.6 -28.85 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.31 110.82 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.94 34.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 44.32 112.446 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.646 HD11 HD12 ' A' 1070 ' ' LEU . 30.1 pt -73.6 -31.46 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 71.51 111.103 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.13 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 62.51 112.523 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.82 -32.78 56.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.794 -0.717 . . . . 73.14 112.478 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.39 -38.96 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 73.23 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.16 -38.81 82.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.897 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -72.78 -26.71 61.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 54.31 110.973 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.38 -38.23 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' 1080 ' ' LEU . 0.4 OUTLIER -73.13 -37.44 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.42 110.89 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -76.16 -33.71 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 54.21 110.932 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' 1078 ' ' LEU . 8.6 mt -68.71 -36.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 52.03 111.199 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.03 -36.88 67.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.866 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.8 mm -74.57 -36.26 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 60.23 111.209 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' 1081 ' ' LEU . 40.9 t -73.03 -27.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.2 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.87 -32.48 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.1 110.89 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -14.53 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.2 110.946 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -98.23 -24.87 15.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 74.42 110.933 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.115 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 65.05 110.988 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.1 p90 -52.05 -27.59 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.939 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.34 -40.2 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -40.77 85.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 53.23 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' 1073 ' ' ILE . 10.7 p -69.62 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.43 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.13 -36.93 64.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 22.1 t -72.99 -28.18 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 72.13 110.837 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.51 33.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 73.23 112.41 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' 1069 ' ' VAL . 34.8 pt -74.03 -31.06 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 73.11 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.77 -34.87 52.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 61.05 112.514 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.66 -32.7 57.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 41.12 112.473 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.03 -39.27 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 73.1 110.966 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' 1073 ' ' ILE . 3.2 mm? -67.79 -38.81 83.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 54.13 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.603 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.4 mp -72.69 -26.17 61.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.916 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.35 -38.96 59.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.923 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.36 -34.81 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.923 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.87 -34.3 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.54 110.875 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' 1078 ' ' LEU . 13.3 mt -70.87 -35.35 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.12 111.137 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -73.02 -38.19 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.829 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.79 -35.69 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 62.24 111.167 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' 1081 ' ' LEU . 13.3 t -67.65 -33.19 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 75.21 111.114 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 47.0 mt -81.3 -33.14 32.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.955 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -19.91 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.941 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 pttt -95.53 -26.7 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 55.31 110.89 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 41.1 111.207 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' 1066 ' ' TYR . 4.0 pp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.851 0.358 . . . . 65.32 110.941 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.537 ' N ' HD12 ' A' 1065 ' ' LEU . 27.1 p90 -51.87 -28.34 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.66 -50.46 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 62.21 110.98 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . 0.734 ' CE2' HG23 ' A' 1069 ' ' VAL . 0.1 OUTLIER -65.77 -33.93 77.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.89 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.734 HG23 ' CE2' ' A' 1068 ' ' TYR . 2.5 t -73.42 -35.67 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.41 111.149 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.444 HD12 HD11 ' A' 1073 ' ' ILE . 12.4 tp -74.17 -35.49 64.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 53.23 110.913 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 32.1 t -73.76 -28.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.883 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.49 -38.88 31.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 63.41 112.525 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' 1069 ' ' VAL . 28.5 pt -73.7 -31.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 70.44 111.146 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.1 53.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.692 -0.766 . . . . 75.15 112.5 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.75 -32.63 56.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 53.23 112.464 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.17 -39.87 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 74.51 110.914 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.34 -38.76 85.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.879 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.591 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.6 mp -73.35 -25.66 60.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.898 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' 1079 ' ' LEU . 8.6 tt -76.51 -36.57 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.907 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.0 mt -75.36 -35.22 61.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.913 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.36 -34.7 55.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 74.02 110.981 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' 1078 ' ' LEU . 19.4 mt -71.8 -33.49 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 64.11 111.129 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -73.33 -38.84 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.7 mt -76.47 -35.43 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 72.52 111.168 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' 1081 ' ' LEU . 15.1 t -69.2 -29.88 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 73.55 111.153 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 64.9 mt -84.49 -30.71 24.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.42 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -17.25 53.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -102.2 -23.9 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 41.23 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 70.41 111.12 179.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' 1068 ' ' TYR . 19.0 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.814 0.34 . . . . 71.32 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.402 ' HA ' HG12 ' A' 1069 ' ' VAL . 36.6 p90 -52.1 -25.51 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 63.54 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.04 -40.33 39.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.917 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . 0.413 ' CE2' HD22 ' A' 1065 ' ' LEU . 0.0 OUTLIER -70.08 -36.28 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.92 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' 1073 ' ' ILE . 10.7 p -73.99 -32.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 55.23 111.129 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.475 HD12 HD11 ' A' 1073 ' ' ILE . 13.0 tp -75.29 -36.1 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.01 110.896 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 12.1 t -74.25 -28.08 61.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.72 -37.54 34.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 41.41 112.523 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' 1069 ' ' VAL . 29.7 pt -74.88 -31.68 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 52.41 111.121 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.85 -33.25 51.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 74.55 112.433 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.8 -32.24 54.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 41.23 112.477 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' 1072 ' ' GLY . 7.2 mt -73.45 -38.54 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 74.31 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.74 -36.33 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 73.45 110.918 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.574 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -74.84 -26.79 59.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.4 110.877 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' 1079 ' ' LEU . 0.6 OUTLIER -74.29 -38.44 63.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.951 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.23 -37.26 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.925 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -76.12 -33.52 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.955 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' 1078 ' ' LEU . 8.6 mt -69.18 -36.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 71.2 111.05 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.63 -37.06 68.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.866 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.39 -38.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.23 111.104 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' 1081 ' ' LEU . 42.3 t -69.59 -30.04 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.158 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 50.6 mt -78.91 -42.31 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 70.22 110.97 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -14.54 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 71.03 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -99.39 -20.61 16.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 55.32 110.874 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.31 111.173 179.831 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.337 . . . . 74.04 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.0 p90 -51.81 -27.79 13.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.5 -40.2 57.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 75.11 110.995 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -40.44 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 71.33 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' 1073 ' ' ILE . 11.3 p -70.13 -33.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 73.41 111.152 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.687 HD12 HD11 ' A' 1073 ' ' ILE . 13.6 tp -74.44 -36.45 63.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.899 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 79.0 p -72.83 -29.01 62.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.821 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.67 -39.33 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 71.04 112.487 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.687 HD11 HD12 ' A' 1070 ' ' LEU . 28.9 pt -73.61 -30.89 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 75.34 111.089 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.73 53.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 64.45 112.479 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.08 -33.53 56.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 64.1 112.453 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.49 -39.64 70.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 74.35 110.846 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.02 -38.97 86.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.946 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.582 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.9 mp -72.72 -25.98 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.92 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.6 tt -76.32 -36.8 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.862 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 15.1 mt -74.94 -35.17 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 74.43 110.938 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.56 -34.64 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.964 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' 1078 ' ' LEU . 18.8 mt -71.94 -33.0 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 63.14 111.075 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.06 -38.66 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.795 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 73.7 mt -76.93 -35.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 60.41 111.108 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' 1081 ' ' LEU . 16.3 t -70.29 -29.7 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.158 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 54.6 mt -84.71 -28.81 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -17.43 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 75.01 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -100.38 -26.31 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 65.3 110.896 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.45 111.12 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' 1068 ' ' TYR . 2.2 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 74.04 110.976 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 30.9 p90 -53.34 -23.73 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.955 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.3 mt -78.51 -40.28 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 51.35 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . 0.423 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.18 -37.4 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.9 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' 1073 ' ' ILE . 14.1 p -72.68 -33.96 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 63.43 111.124 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.6 HD12 HD11 ' A' 1073 ' ' ILE . 13.7 tp -74.27 -35.65 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.958 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.9 t -74.1 -28.04 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.77 -38.1 32.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 51.23 112.485 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.6 HD11 HD12 ' A' 1070 ' ' LEU . 25.6 pt -74.69 -31.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.373 . . . . 72.15 111.168 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.13 -33.6 53.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 63.03 112.493 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.42 -32.71 54.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 52.01 112.466 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.99 -38.49 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 54.43 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.38 -37.85 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.934 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.589 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.5 mp -74.09 -25.5 59.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.952 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.9 -37.86 58.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.904 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 51.2 tp -74.47 -35.22 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.26 -34.23 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.944 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' 1078 ' ' LEU . 15.7 mt -71.65 -33.7 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 65.13 111.148 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -39.16 65.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.23 110.861 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.86 -36.47 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 50.41 111.14 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1081 ' ' LEU . 14.5 t -67.75 -31.77 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 70.53 111.125 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 39.8 mt -82.0 -33.33 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.878 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -17.7 59.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 -17.23 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 51.43 110.85 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 73.52 111.144 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.592 HD23 ' CD2' ' A' 1068 ' ' TYR . 1.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 63.52 110.91 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.6 p90 -52.43 -25.96 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.937 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.31 -39.73 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.33 110.968 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . 0.592 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.17 -38.07 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.96 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' 1073 ' ' ILE . 14.9 p -72.17 -33.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 75.33 111.158 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.47 HD12 HD11 ' A' 1073 ' ' ILE . 12.5 tp -74.9 -36.32 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.874 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -27.86 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.72 -38.17 32.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 70.23 112.551 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' 1069 ' ' VAL . 28.8 pt -74.48 -31.49 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 64.24 111.181 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.67 -33.46 51.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 70.1 112.465 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.59 54.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.735 . . . . 63.02 112.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.23 -38.8 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.03 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.56 -36.36 76.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.92 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.6 mp -74.72 -26.42 59.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.919 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' 1079 ' ' LEU . 0.6 OUTLIER -74.39 -38.68 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.931 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' 1080 ' ' LEU . 0.3 OUTLIER -73.23 -37.43 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.11 110.924 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -75.79 -33.63 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 70.42 110.944 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.463 HD12 ' O ' ' A' 1078 ' ' LEU . 8.3 mt -69.09 -37.09 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 72.24 111.144 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.73 -37.14 70.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 5.2 mm -73.98 -38.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.44 111.157 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' 1089 ' ' VAL . 45.0 t -68.1 -31.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 64.33 111.17 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 36.0 mt -74.59 -46.49 38.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 61.01 110.953 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -14.49 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.03 110.926 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -90.04 -26.71 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 62.02 110.94 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 1085 ' ' VAL . 33.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.054 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' 1068 ' ' TYR . 7.8 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.863 0.363 . . . . 64.12 110.909 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.3 p90 -52.49 -25.57 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.929 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.1 mt -77.67 -40.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.15 110.909 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . 0.423 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.49 -37.42 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 70.33 110.985 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' 1073 ' ' ILE . 11.8 p -72.88 -32.84 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 74.34 111.069 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.461 HD12 HD11 ' A' 1073 ' ' ILE . 12.2 tp -75.3 -36.25 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 64.54 110.839 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 54.7 p -73.64 -28.25 61.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.41 110.814 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.51 -38.2 33.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.24 112.552 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' 1069 ' ' VAL . 30.7 pt -74.33 -31.14 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 64.14 111.157 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.55 -33.6 51.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.742 -0.742 . . . . 75.1 112.497 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.37 53.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 64.11 112.451 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' 1072 ' ' GLY . 7.0 mt -73.25 -38.42 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 63.31 110.94 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -37.59 76.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 55.21 110.935 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.584 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.6 mp -74.57 -25.05 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 43.05 110.944 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.34 -37.47 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 71.33 110.924 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.1 -35.01 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 63.34 110.89 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.49 -34.3 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.45 110.939 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1078 ' ' LEU . 15.8 mt -71.66 -33.38 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 70.41 111.137 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -38.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 61.12 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.2 mt -76.37 -35.96 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 65.24 111.107 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' 1081 ' ' LEU . 14.2 t -67.6 -33.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 61.51 111.103 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 45.3 mt -80.54 -34.73 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.54 110.945 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -17.16 60.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 27.5 pttt -104.24 -16.6 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 64.53 110.938 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.01 111.141 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.85 0.357 . . . . 73.2 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 25.7 p90 -52.12 -24.49 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.934 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.79 -40.78 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 63.23 110.996 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -35.94 75.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' 1073 ' ' ILE . 10.6 p -73.81 -33.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 73.23 111.054 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.95 -36.6 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 4.0 p -72.22 -29.47 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 53.42 110.88 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.17 -39.61 36.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 54.31 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' 1069 ' ' VAL . 36.7 pt -73.07 -30.69 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 72.5 111.181 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.55 -34.96 52.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 73.01 112.549 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.88 58.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.668 -0.777 . . . . 53.22 112.436 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' 1080 ' ' LEU . 5.3 mt -71.69 -40.18 69.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 65.13 110.874 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.13 -38.59 85.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 51.42 110.84 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.5 mp -72.82 -26.24 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 4.2 tt -75.51 -37.21 60.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 63.33 110.913 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' 1076 ' ' LEU . 4.0 mm? -74.85 -34.86 62.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.949 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.84 -34.26 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 72.21 110.949 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' 1078 ' ' LEU . 18.3 mt -71.55 -33.2 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.128 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -38.62 62.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.82 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.3 mt -76.61 -33.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 71.52 111.131 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' 1089 ' ' VAL . 13.3 t -71.58 -30.56 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.159 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.11 -29.08 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 61.24 110.899 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -19.6 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.869 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -88.83 -39.39 13.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.952 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' 1085 ' ' VAL . 26.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 71.42 111.124 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.415 HD22 ' CE2' ' A' 1068 ' ' TYR . 18.7 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.826 0.346 . . . . 64.1 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' 1069 ' ' VAL . 27.6 p90 -53.87 -24.97 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 62.53 110.931 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.2 -41.12 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 73.13 110.937 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.34 -36.94 77.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.949 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' 1073 ' ' ILE . 11.1 p -73.15 -33.18 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 64.54 111.101 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.441 HD12 HD11 ' A' 1073 ' ' ILE . 11.9 tp -75.18 -35.59 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.92 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.9 t -73.5 -29.01 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 63.45 110.887 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.44 33.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 74.33 112.469 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' 1069 ' ' VAL . 24.3 pt -73.47 -31.84 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 65.33 111.137 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.94 -32.66 56.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 72.12 112.49 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.59 -32.51 54.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 71.11 112.532 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.99 -39.76 65.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 75.42 110.941 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.27 -36.86 77.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.963 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.9 mp -74.55 -26.06 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.899 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' 1079 ' ' LEU . 8.2 tt -74.7 -38.56 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 62.32 110.836 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 46.6 mt -72.75 -37.68 67.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.942 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -75.48 -35.08 60.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.959 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' 1078 ' ' LEU . 12.0 mt -68.85 -37.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 53.23 111.161 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . 0.413 ' HA ' HD21 ' A' 1086 ' ' LEU . 3.9 m-85 -70.5 -38.15 74.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.85 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . 0.583 HG22 ' HD2' ' A' 1088 ' ' LYS . 92.3 mt -77.67 -28.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.04 111.072 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' 1089 ' ' VAL . 3.5 t -70.95 -38.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.13 111.167 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' 1087 ' ' TYR . 3.6 pp -77.72 -30.7 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.912 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . 0.519 ' N ' HD12 ' A' 1086 ' ' LEU . 0.0 OUTLIER -80.24 -17.03 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 53.42 110.969 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . 0.583 ' HD2' HG22 ' A' 1084 ' ' ILE . 32.0 mttp -93.46 -26.09 17.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 70.54 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' 1085 ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.34 111.161 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' 1068 ' ' TYR . 6.3 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 75.04 110.888 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.401 ' HA ' HG12 ' A' 1069 ' ' VAL . 35.9 p90 -52.24 -25.64 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 64.25 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.95 -40.43 47.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . 0.462 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -68.91 -38.25 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 73.05 110.893 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.594 ' O ' HG23 ' A' 1073 ' ' ILE . 13.8 p -72.16 -32.89 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 53.52 111.114 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.75 -38.01 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 70.22 110.962 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 40.6 t -72.98 -25.96 61.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 63.32 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -78.92 -37.26 26.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 74.32 112.487 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' 1069 ' ' VAL . 28.8 pt -76.29 -31.05 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 74.32 111.115 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -80.71 -34.73 27.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 72.5 112.512 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -77.03 -30.35 55.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 73.42 112.529 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' 1076 ' ' LEU . 0.6 OUTLIER -79.15 -35.59 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.53 110.976 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.9 -33.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 62.22 110.95 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.608 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.7 mp -77.73 -27.64 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.886 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.63 -37.37 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.91 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' 1076 ' ' LEU . 6.2 mp -74.88 -35.17 62.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.943 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.74 -33.83 52.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 54.44 110.859 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' 1078 ' ' LEU . 16.1 mt -71.54 -33.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.21 111.096 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -38.81 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.858 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 68.5 mt -75.76 -35.5 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.13 111.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' 1089 ' ' VAL . 23.6 t -71.19 -30.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.088 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.434 ' HA ' HG22 ' A' 1089 ' ' VAL . 37.0 mt -82.58 -27.85 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.23 110.944 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -17.01 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.936 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.7 pttm -94.1 -27.18 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.865 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' 1085 ' ' VAL . 30.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 65.42 111.174 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1065 ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' 1066 ' ' TYR . 3.7 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 72.13 110.916 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1066 ' ' TYR . . . . . 0.553 ' N ' HD12 ' A' 1065 ' ' LEU . 32.9 p90 -53.56 -23.8 11.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.39 -42.4 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 74.54 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -35.05 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 62.11 110.896 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1069 ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' 1073 ' ' ILE . 7.4 p -74.49 -32.89 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.25 111.141 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1070 ' ' LEU . . . . . 0.682 HD12 HD11 ' A' 1073 ' ' ILE . 17.6 tp -75.73 -34.82 60.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.951 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1071 ' ' SER . . . . . . . . . . . . . 2.0 t -74.07 -29.49 61.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.857 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.44 -39.1 36.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 63.32 112.475 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1073 ' ' ILE . . . . . 0.682 HD11 HD12 ' A' 1070 ' ' LEU . 27.5 pt -73.36 -31.23 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 74.32 111.1 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.4 -34.11 55.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 45.43 112.446 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.47 -33.41 56.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.693 -0.765 . . . . 74.12 112.517 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.06 -38.59 69.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 51.02 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.37 -39.12 85.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.911 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1078 ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.8 mp -72.53 -27.55 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.873 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 18.2 tp -73.63 -37.86 65.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 71.35 110.963 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1080 ' ' LEU . . . . . 0.413 ' O ' HG12 ' A' 1084 ' ' ILE . 65.7 mt -71.13 -43.58 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.922 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1081 ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -70.37 -34.71 72.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.839 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1082 ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' 1078 ' ' LEU . 11.6 mt -69.43 -31.85 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.34 111.138 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -41.68 69.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.85 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1084 ' ' ILE . . . . . 0.646 HG22 ' CE ' ' A' 1088 ' ' LYS . 5.2 mm -74.6 -34.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 70.44 111.18 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1085 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1081 ' ' LEU . 32.3 t -69.72 -28.84 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 51.33 111.155 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 29.9 mt -85.27 -30.87 23.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 75.55 110.917 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -13.75 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.901 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1088 ' ' LYS . . . . . 0.646 ' CE ' HG22 ' A' 1084 ' ' ILE . 17.1 ptpt -101.71 -28.16 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 75.42 110.921 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 70.52 111.181 179.769 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.939 0.4 . . . . 34.22 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -99.15 105.25 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -85.63 -175.41 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 75.12 111.104 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 4.1 t70 -92.14 51.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.889 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 10.5 p -113.44 -27.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 63.23 111.132 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 41.1 t -65.79 -25.55 36.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 63.2 111.114 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -101.3 -22.71 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.931 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.26 -75.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 44.43 110.923 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -171.22 93.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.878 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -18.75 53.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 70.21 110.889 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 5.9 mtt 57.34 22.45 7.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.807 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.27 -30.27 25.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 72.4 110.87 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.421 ' HA ' HG12 ' A' 1069 ' ' VAL . 22.7 p90 -53.86 -23.24 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.2 110.914 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.41 -42.4 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 70.15 110.914 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -35.16 74.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 74.52 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' 1073 ' ' ILE . 7.2 p -74.5 -33.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 72.45 111.111 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.559 HD12 HD11 ' A' 1073 ' ' ILE . 14.0 tp -75.27 -36.62 61.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.849 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -72.18 -30.03 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 60.11 110.817 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . 0.546 ' O ' HD13 ' A' 1076 ' ' LEU . . . -74.7 -39.84 39.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 60.45 112.433 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.559 HD11 HD12 ' A' 1070 ' ' LEU . 35.1 pt -72.93 -30.62 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 62.42 111.147 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.37 -34.19 55.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 64.12 112.454 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.78 -33.95 57.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.743 . . . . 75.13 112.489 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' 1072 ' ' GLY . 7.4 mp -71.37 -40.5 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 55.04 110.884 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.89 -37.88 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 72.14 110.91 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.4 mp -73.2 -26.08 61.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 54.43 110.911 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 16.6 tp -75.72 -37.64 59.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.899 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.74 -34.65 62.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 64.11 110.861 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.73 -34.7 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 75.04 110.969 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.447 HD12 ' O ' ' A' 1078 ' ' LEU . 18.2 mt -71.3 -33.16 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 53.13 111.091 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.22 -38.64 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.845 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.5 mt -76.87 -34.14 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.1 111.106 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' 1089 ' ' VAL . 15.5 t -71.17 -30.03 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 72.02 111.138 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.551 HD22 ' CD2' ' A' 1091 ' ' PHE . 58.7 mt -83.57 -29.62 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.91 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -20.35 37.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.902 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.23 -40.49 13.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.875 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.672 HG23 ' H ' ' A' 1091 ' ' PHE . 29.2 m -68.11 -29.81 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.22 111.124 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 122.39 -10.96 9.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 71.44 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.672 ' H ' HG23 ' A' 1089 ' ' VAL . 2.7 m-85 -53.89 -60.07 3.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.857 0.36 . . . . 73.01 110.814 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -77.85 -3.96 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 65.42 110.88 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.9 tttp -81.13 -0.47 40.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 75.21 110.874 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -119.65 45.99 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 54.21 110.853 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -174.03 152.81 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.919 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 3.6 tt -89.81 91.15 8.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.966 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.14 165.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.938 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -113.31 -31.71 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 64.43 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? 57.33 48.69 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 65.12 110.833 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 11.4 ptm -65.77 169.15 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.894 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.32 99.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.1 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -76.1 152.77 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 70.25 111.05 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.14 -0.811 . . . . 72.41 112.491 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.844 0.354 . . . . 64.31 110.792 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.66 86.93 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' 1058 ' ' VAL . . . -98.61 34.17 2.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 60.21 111.151 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . 0.753 ' HB3' HD21 ' A' 1065 ' ' LEU . 1.1 m-20 63.5 29.07 15.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.03 110.848 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' 1056 ' ' ALA . 2.6 p -179.68 100.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 54.23 111.185 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 40.2 t -136.4 -41.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.44 111.214 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -114.23 177.63 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.868 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -54.01 146.22 14.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 62.2 110.914 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 20.0 mtpp 54.56 91.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -59.89 -18.75 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.924 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.16 22.03 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 63.21 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' 1057 ' ' ASP . 66.0 mt -77.68 -36.5 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.418 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.6 p90 -52.63 -24.44 8.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 72.44 110.887 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.19 -41.18 28.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 72.43 110.961 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -35.36 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.907 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' 1073 ' ' ILE . 8.0 p -74.28 -33.03 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 64.33 111.123 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.443 HD12 HD11 ' A' 1073 ' ' ILE . 12.3 tp -75.31 -35.99 61.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 53.11 110.917 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 26.6 t -73.99 -28.1 61.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.911 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.6 -38.25 32.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 61.1 112.5 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' 1069 ' ' VAL . 28.7 pt -74.31 -31.5 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 65.1 111.145 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.98 -33.82 54.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 73.15 112.485 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.04 -33.1 55.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 62.03 112.547 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' 1072 ' ' GLY . 6.3 mt -72.47 -38.58 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 73.4 110.921 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.8 mt -68.95 -37.48 78.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 72.14 110.897 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.604 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.7 mp -73.98 -25.89 60.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.4 110.912 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.579 ' O ' HD13 ' A' 1079 ' ' LEU . 0.5 OUTLIER -76.01 -37.26 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 54.41 110.925 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -35.09 62.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.949 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.69 -34.38 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 63.12 110.908 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' 1078 ' ' LEU . 18.6 mt -72.15 -32.26 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 65.33 111.158 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -74.25 -39.07 63.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.925 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.4 mt -76.52 -36.09 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 71.21 111.138 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1081 ' ' LEU . 18.0 t -68.93 -31.97 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 53.11 111.156 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.97 -32.06 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 74.4 110.905 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -17.31 55.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.925 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.6 pttp -103.26 -16.86 15.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.887 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t -87.15 -32.32 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 64.32 111.138 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.17 49.52 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 53.04 112.456 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -128.0 -63.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 75.21 110.88 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -74.13 -8.38 55.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 72.43 110.866 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.97 -174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.06 24.44 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.875 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -167.19 114.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 4.7 tt -52.01 -67.22 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.919 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 19.7 pttm -165.74 177.58 7.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.13 110.896 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.49 -62.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 74.43 110.903 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -151.96 116.17 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 37.8 mtt -115.71 41.22 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 50.43 110.9 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -107.8 -29.73 8.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.879 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -113.15 140.92 47.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 70.12 111.108 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.158 -0.801 . . . . 51.35 112.502 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.924 0.392 . . . . 73.34 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -92.13 64.77 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 74.41 110.894 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -136.43 178.04 7.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 71.31 111.073 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 4.5 t70 -111.96 85.84 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.84 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 8.1 p -117.37 -14.07 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 73.45 111.136 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1059 ' ' VAL . 12.6 t -74.22 -6.28 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 63.45 111.104 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -101.84 -6.58 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 73.11 110.918 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -166.93 129.98 1.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 64.31 110.825 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 45.7 mmtt 44.08 76.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.912 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . 0.428 ' HB3' HD23 ' A' 1065 ' ' LEU . 1.6 mp0 -56.41 -22.73 33.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 73.14 110.926 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.7 mtt 55.82 22.96 5.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.34 110.878 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' 1066 ' ' TYR . 3.6 pp -88.75 -21.65 23.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 73.42 110.851 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.6 ' N ' HD12 ' A' 1065 ' ' LEU . 19.0 p90 -57.99 -20.03 35.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.83 -46.89 16.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.945 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -33.99 75.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 75.14 110.83 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' 1073 ' ' ILE . 6.2 p -74.89 -32.49 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 73.35 111.119 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.578 HD12 HD11 ' A' 1073 ' ' ILE . 14.9 tp -75.67 -36.56 60.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.907 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 10.6 t -72.51 -29.65 63.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 44.15 110.908 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -74.85 -39.55 38.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 74.35 112.446 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.578 HD11 HD12 ' A' 1070 ' ' LEU . 38.5 pt -72.93 -30.83 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 70.22 111.147 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.22 -34.37 55.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 50.31 112.481 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.87 -33.73 57.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 74.33 112.495 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.2 -40.4 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 63.33 110.866 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.72 -38.13 86.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.974 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.569 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.3 mp -73.25 -25.76 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 64.34 110.827 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.6 tp -75.96 -37.53 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 52.54 110.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.6 tp -74.49 -35.02 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 73.14 110.918 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.66 -34.58 52.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 61.24 110.941 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' 1078 ' ' LEU . 19.0 mt -71.53 -32.6 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 44.42 111.158 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.7 -38.79 62.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 60.23 110.876 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 69.9 mt -76.64 -34.07 23.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 64.13 111.187 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' 1089 ' ' VAL . 2.6 t -71.64 -30.6 39.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 55.44 111.186 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.93 -28.51 29.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.891 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.22 -19.86 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.951 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -88.83 -38.9 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 75.41 110.97 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.624 HG23 ' H ' ' A' 1091 ' ' PHE . 27.6 m -68.34 -32.65 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 62.11 111.129 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.8 -9.42 7.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 51.53 112.557 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.624 ' H ' HG23 ' A' 1089 ' ' VAL . 3.5 m-85 -59.41 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 73.31 110.915 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.32 -21.06 33.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.24 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.5 tttm -51.73 103.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 64.44 110.911 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -133.63 -68.58 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 72.54 110.911 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -80.04 160.89 25.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.959 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.77 143.4 47.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.93 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -58.46 -177.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.01 110.929 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.9 tp10 62.68 37.88 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 65.34 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -97.13 30.85 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 74.33 110.936 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 9.0 ttt -161.43 164.13 30.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 74.44 110.879 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 61.5 44.72 9.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 62.23 110.961 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -107.35 91.2 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 73.33 111.082 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.161 -0.799 . . . . 45.32 112.52 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.874 0.369 . . . . 74.13 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -83.62 79.15 9.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -134.06 95.63 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 70.04 111.088 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.6 t0 63.4 55.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.878 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . 0.401 HG11 ' OE1' ' A' 1063 ' ' GLN . 4.3 m -120.55 69.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 74.43 111.151 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.4 t -131.79 -48.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 74.11 111.119 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.37 -45.71 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.904 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.66 -164.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.852 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -139.67 92.84 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . 0.401 ' OE1' HG11 ' A' 1058 ' ' VAL . 35.2 mt-30 -50.68 -23.21 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 70.45 110.901 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.5 mtt 61.2 18.48 9.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 63.2 110.858 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -34.06 20.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 74.42 110.882 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 33.3 p90 -51.82 -28.78 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.968 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.87 -40.33 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.959 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -42.0 84.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.966 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.555 ' O ' HG23 ' A' 1073 ' ' ILE . 12.6 p -69.51 -33.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 62.35 111.132 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.525 HD12 HD11 ' A' 1073 ' ' ILE . 12.7 tp -74.42 -37.12 63.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.966 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.0 t -72.53 -28.23 62.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 73.12 110.917 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.68 32.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 73.21 112.537 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' 1069 ' ' VAL . 31.4 pt -74.41 -30.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 62.23 111.193 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.15 50.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 73.23 112.528 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.02 54.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 63.4 112.506 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 -38.37 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 73.55 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.43 -38.34 77.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.596 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -73.7 -26.18 60.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 64.25 110.929 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.53 -38.68 62.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.947 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.3 -37.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 64.2 110.93 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -75.97 -33.79 59.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.884 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' 1078 ' ' LEU . 8.9 mt -69.17 -36.43 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 75.45 111.108 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.49 -37.04 68.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 73.44 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . 0.459 HG22 ' HD2' ' A' 1088 ' ' LYS . 4.8 mm -74.56 -38.26 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 73.11 111.13 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' 1089 ' ' VAL . 40.7 t -68.4 -31.7 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 50.15 111.128 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.634 HD22 ' CD2' ' A' 1091 ' ' PHE . 33.7 mt -75.25 -46.45 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.975 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -14.97 62.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 74.11 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . 0.459 ' HD2' HG22 ' A' 1084 ' ' ILE . 75.8 mttt -89.75 -27.46 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 72.04 110.949 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' 1085 ' ' VAL . 33.5 m -91.21 -31.15 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 71.43 111.163 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 124.73 54.36 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.709 . . . . 61.52 112.456 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.634 ' CD2' HD22 ' A' 1086 ' ' LEU . 3.7 m-85 -125.7 -57.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.338 . . . . 74.31 110.82 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -90.36 11.69 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 63.2 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.9 tttp -82.72 0.86 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 63.24 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -91.65 -47.8 7.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 73.11 110.806 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -103.83 167.69 9.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.882 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' 1097 ' ' LYS . 1.3 tt -92.2 154.49 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 61.21 110.882 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . 0.596 ' N ' HD23 ' A' 1096 ' ' LEU . 67.0 mttt -52.5 164.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.947 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -122.24 -46.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.35 110.863 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -138.33 -175.43 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.31 110.943 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 30.6 mtt -146.15 139.87 26.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 73.4 110.901 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -87.9 56.08 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 54.54 110.883 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -91.72 138.4 31.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 70.41 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 CA-C-O 119.132 -0.816 . . . . 43.52 112.51 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.883 0.373 . . . . 65.04 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 33.4 m120 -86.69 132.08 33.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 61.22 110.826 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -98.26 25.92 5.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 51.44 111.105 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.18 90.3 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.904 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 28.4 t -132.38 71.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.11 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 93.5 t -67.9 -41.04 84.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.21 111.146 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -112.33 -176.19 2.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.892 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -113.62 22.77 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 62.13 110.913 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -79.08 -0.98 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 65.22 110.863 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -66.27 -11.4 50.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.21 110.893 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 37.4 mmt 57.06 29.33 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 60.51 110.843 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.12 -42.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 62.31 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.408 ' HA ' HG12 ' A' 1069 ' ' VAL . 27.2 p90 -51.76 -25.33 7.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 62.22 110.935 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.89 -39.38 43.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 73.42 110.918 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.13 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.902 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' 1073 ' ' ILE . 12.6 p -72.93 -33.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.216 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.4 tp -75.19 -36.61 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 53.8 p -73.29 -27.8 61.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.881 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.73 -39.12 29.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 75.24 112.551 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' 1069 ' ' VAL . 28.9 pt -73.49 -31.21 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 60.43 111.1 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.98 52.29 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 73.24 112.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -73.96 -33.8 56.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 70.01 112.538 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.45 -40.61 66.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 64.04 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.7 tp -68.16 -33.45 74.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 64.23 110.934 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.693 HD12 HD11 ' A' 1082 ' ' ILE . 0.2 OUTLIER -74.26 -32.85 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 71.11 110.896 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.611 ' O ' HD13 ' A' 1079 ' ' LEU . 0.7 OUTLIER -70.52 -35.69 73.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.891 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -39.12 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 65.2 110.911 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' 1081 ' ' LEU . 0.2 OUTLIER -77.53 -34.44 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.903 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.693 HD11 HD12 ' A' 1078 ' ' LEU . 33.9 mt -70.49 -33.44 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.01 111.177 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -74.73 -38.72 62.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.848 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.41 -36.09 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 71.13 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' 1089 ' ' VAL . 32.1 t -70.23 -31.04 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.4 111.155 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.423 ' HA ' HG22 ' A' 1089 ' ' VAL . 28.8 mt -83.36 -25.83 31.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.911 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -19.14 34.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.895 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -91.26 -31.96 15.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.931 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' 1085 ' ' VAL . 27.2 m -75.85 -34.09 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 55.02 111.11 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 118.31 38.51 0.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 32.44 112.484 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -109.17 -61.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 74.34 110.868 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -87.53 7.16 30.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.52 110.842 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.0 tptp -78.22 -3.13 41.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.943 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -75.61 -55.41 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 62.12 110.843 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.83 138.4 46.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 73.05 110.919 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.01 -42.5 99.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 39.4 mttm -63.54 124.48 21.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.937 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -95.65 -49.46 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 55.11 110.92 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.8 70.58 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.834 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 5.2 mtm -71.85 -27.11 62.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.909 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 56.24 31.17 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -131.29 118.9 21.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 75.33 111.111 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.13 -0.817 . . . . 73.45 112.494 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.877 0.37 . . . . 60.51 110.852 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 15.1 m120 53.8 32.05 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 73.12 110.917 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -93.17 79.35 4.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 73.01 111.061 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.1 t0 -91.87 53.21 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.44 110.847 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 22.1 t -117.76 66.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.43 111.094 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 40.3 t -115.5 -31.0 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 55.34 111.163 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -84.47 -44.92 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.891 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -53.36 162.59 0.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 55.23 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 80.8 mttt -74.51 74.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.827 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -48.36 -25.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 65.05 110.945 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.4 mtt 59.91 22.38 11.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.848 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 38.1 mt -81.84 -36.88 27.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.414 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.8 p90 -52.73 -24.79 9.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.917 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.61 -41.61 31.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 43.01 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.02 75.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.54 110.928 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' 1073 ' ' ILE . 9.2 p -73.95 -32.79 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 72.32 111.091 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.662 HD12 HD11 ' A' 1073 ' ' ILE . 16.8 tp -75.31 -35.7 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.901 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 45.5 t -73.29 -29.48 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.46 -39.5 35.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 60.33 112.511 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.662 HD11 HD12 ' A' 1070 ' ' LEU . 25.4 pt -73.25 -31.04 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 74.14 111.201 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -33.73 55.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 65.25 112.559 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.31 -33.59 56.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 42.44 112.528 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.18 -39.56 68.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 71.11 110.925 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.8 tp -67.82 -37.8 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.23 110.965 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.594 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.9 mp -73.21 -27.08 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.921 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' 1079 ' ' LEU . 0.4 OUTLIER -74.19 -38.05 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.986 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.44 -37.48 65.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.03 110.892 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -76.06 -33.46 59.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.958 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1078 ' ' LEU . 8.7 mt -69.15 -36.39 72.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 73.23 111.165 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -37.61 67.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.876 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -72.95 -36.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' 1089 ' ' VAL . 14.7 t -72.07 -28.77 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.32 111.096 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.3 mt -82.41 -28.03 31.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 63.34 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -19.27 29.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.923 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.3 pttp -89.1 -32.2 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 61.15 110.907 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' 1085 ' ' VAL . 19.7 m -75.65 -33.67 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.07 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 130.29 -5.83 5.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 61.4 112.456 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.512 ' H ' HG23 ' A' 1089 ' ' VAL . 7.1 t80 -60.2 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 74.32 110.923 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -88.3 -16.88 31.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 4.2 tttp -51.25 108.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.925 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 17.4 tpp85 -172.54 120.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 61.34 110.915 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -78.77 76.11 5.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 54.23 110.862 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 19.8 tp -97.72 161.39 13.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.956 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -54.6 -44.6 73.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 64.2 110.903 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 57.92 33.56 23.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.91 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -76.56 76.67 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 74.54 110.896 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 1.5 ttt -166.36 161.42 16.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 54.55 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.11 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 75.33 110.886 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -127.71 89.08 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.072 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.164 -0.798 . . . . 75.34 112.506 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.895 0.378 . . . . 64.32 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 34.9 m120 -148.1 164.92 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 52.45 110.876 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -108.07 85.56 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 63.41 111.088 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.28 75.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.766 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 11.1 m -68.63 -18.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 71.34 111.137 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.7 t -58.36 -20.4 15.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.105 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -106.91 -2.3 21.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.922 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -160.4 119.51 2.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 71.53 110.876 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 3.1 mptt 46.34 83.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 54.54 110.874 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -60.35 -18.84 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.978 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 55.09 24.58 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 63.42 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.12 -38.92 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 62.01 110.907 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.414 ' HA ' HG12 ' A' 1069 ' ' VAL . 34.9 p90 -51.71 -25.02 6.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.919 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.7 -40.72 33.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -35.77 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 60.42 110.914 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' 1073 ' ' ILE . 9.5 p -74.23 -32.83 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 61.33 111.16 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.504 HD12 HD11 ' A' 1073 ' ' ILE . 13.2 tp -75.44 -35.69 60.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 75.44 110.878 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 28.9 t -73.58 -29.23 62.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.417 . . . . 62.14 110.862 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.52 -39.11 36.11 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 61.35 112.505 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.607 ' O ' HD13 ' A' 1077 ' ' LEU . 26.6 pt -73.52 -31.18 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 71.44 111.193 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.83 -33.41 55.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 64.33 112.513 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.65 -33.77 55.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 44.35 112.468 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.06 -39.43 69.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 75.13 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' 1073 ' ' ILE . 7.3 mp -68.4 -37.39 80.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.931 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.8 mp -73.93 -25.93 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.855 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' 1079 ' ' LEU . 0.5 OUTLIER -75.78 -37.59 59.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.895 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 75.4 mt -74.22 -35.52 63.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 74.31 110.881 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.41 -34.33 54.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.32 110.939 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' 1078 ' ' LEU . 17.7 mt -72.07 -31.8 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 45.12 111.137 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -74.95 -39.43 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.51 110.883 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 66.0 mt -75.93 -35.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.51 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' 1089 ' ' VAL . 3.4 t -70.72 -32.09 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 74.31 111.153 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.424 HD13 ' CE1' ' A' 1092 ' ' PHE . 20.7 mt -80.53 -28.76 37.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.968 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -16.84 40.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.21 110.842 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -93.66 -26.74 16.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 62.45 110.896 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' 1085 ' ' VAL . 28.1 m -84.15 -32.55 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 63.22 111.099 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.68 47.86 0.43 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.77 -0.728 . . . . 73.45 112.481 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -119.64 -61.27 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 63.15 110.83 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . 0.424 ' CE1' HD13 ' A' 1086 ' ' LEU . 5.0 m-85 -87.18 4.42 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.931 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -76.46 65.47 2.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.888 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -58.64 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -159.41 128.24 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 44.32 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' 1099 ' ' LYS . 0.1 OUTLIER -96.5 110.93 23.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 45.4 110.93 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 10.9 pttp -117.51 -27.15 6.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.859 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -78.55 2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 64.41 110.842 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . 0.6 ' HB3' HD12 ' A' 1096 ' ' LEU . 4.3 ptpt -50.81 -31.12 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.881 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -47.75 71.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.919 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -119.86 42.23 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.914 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -57.67 158.8 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 43.35 111.192 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.156 -0.802 . . . . 72.2 112.545 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.831 0.348 . . . . 73.03 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 10.1 m120 -87.49 106.08 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.899 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -117.93 61.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 70.11 111.137 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -126.35 43.85 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.54 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 23.0 m -98.49 46.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.41 111.139 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 30.2 t -86.93 -58.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -100.75 -55.86 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.897 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.05 -163.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.855 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -146.53 95.24 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 42.01 110.932 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . 0.421 ' HB3' HD12 ' A' 1065 ' ' LEU . 13.1 mm100 -50.7 -23.45 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.7 mtt 60.57 21.82 11.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 54.3 110.838 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' 1068 ' ' TYR . 3.3 mt -78.34 -36.1 46.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 74.21 110.96 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.405 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.0 p90 -53.03 -25.66 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 70.33 110.908 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.5 -40.12 43.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.916 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . 0.454 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.53 -37.5 77.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 71.23 110.96 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' 1073 ' ' ILE . 13.1 p -73.0 -32.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.22 111.108 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.497 HD12 HD11 ' A' 1073 ' ' ILE . 12.9 tp -75.22 -35.95 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 73.54 110.93 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 35.7 t -73.52 -28.85 62.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.768 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.02 -38.92 34.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 72.22 112.51 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' 1069 ' ' VAL . 29.1 pt -73.76 -31.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 73.22 111.119 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . 0.524 ' HA2' HD23 ' A' 1077 ' ' LEU . . . -75.11 -34.46 52.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 61.04 112.404 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.46 -30.72 57.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 53.12 112.537 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.24 -40.46 64.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 62.34 110.867 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . 0.524 HD23 ' HA2' ' A' 1074 ' ' GLY . 0.7 OUTLIER -69.51 -34.59 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 62.53 110.867 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' 1081 ' ' LEU . 3.4 mp -74.88 -27.72 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.937 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' 1079 ' ' LEU . 0.2 OUTLIER -73.87 -39.04 64.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.01 110.889 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 20.7 tp -72.81 -37.34 67.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 53.23 110.884 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -76.17 -33.22 59.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 53.01 110.917 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' 1078 ' ' LEU . 7.1 mt -68.57 -37.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.099 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.52 -37.0 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.31 110.802 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.8 -37.3 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 53.44 111.099 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' 1089 ' ' VAL . 48.4 t -71.68 -28.56 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 64.53 111.15 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.429 HD22 ' CD2' ' A' 1091 ' ' PHE . 16.0 mt -82.96 -26.81 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 72.23 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -19.19 30.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.22 110.931 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.66 -32.47 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 74.21 110.929 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' 1085 ' ' VAL . 23.9 m -74.49 -30.05 24.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 52.52 111.116 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.68 38.25 0.85 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.72 -0.752 . . . . 72.43 112.493 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.429 ' CD2' HD22 ' A' 1086 ' ' LEU . 2.9 t80 -108.71 -61.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 74.41 110.894 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -93.28 -6.3 47.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 65.14 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 5.2 tttt -51.82 112.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 65.32 110.841 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -168.28 124.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -123.83 76.33 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.855 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' 1096 ' ' LEU . 0.6 OUTLIER -92.93 -48.76 6.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.887 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 14.6 pttt -62.05 154.16 27.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 71.34 110.92 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -109.39 -31.45 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.1 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -84.38 81.14 8.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 72.14 110.89 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 8.1 mtm -67.95 -40.88 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 74.3 110.88 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 57.4 tt0 62.08 43.32 8.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 60.12 110.906 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -95.28 145.98 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.4 111.104 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.109 -0.828 . . . . 51.24 112.491 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.899 0.38 . . . . 71.14 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.33 142.96 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -104.75 24.04 12.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.42 111.105 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.06 71.36 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 74.22 110.843 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . 0.926 HG13 HG23 ' A' 1059 ' ' VAL . 6.8 p -120.72 -31.62 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.23 111.115 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.926 HG23 HG13 ' A' 1058 ' ' VAL . 4.6 t -119.45 -25.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.42 111.082 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 23.5 m-85 64.27 15.95 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.902 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.581 ' HG2' HG12 ' A' 1059 ' ' VAL . 22.3 pt-20 -169.75 123.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 64.15 110.881 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 60.5 mmtt 48.21 79.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 60.45 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -56.68 -20.84 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.9 mtt 54.84 25.79 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 36.5 mt -85.85 -39.68 16.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 73.14 110.899 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.413 ' HA ' HG12 ' A' 1069 ' ' VAL . 26.3 p90 -52.62 -24.56 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.6 mt -79.06 -41.67 28.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.537 . . . . 73.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -35.51 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 70.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.564 ' O ' HG23 ' A' 1073 ' ' ILE . 8.4 p -74.09 -33.32 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 63.22 111.125 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.646 HD12 HD11 ' A' 1073 ' ' ILE . 16.0 tp -75.19 -35.9 61.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.33 110.952 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.8 t -73.6 -28.85 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.31 110.82 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.94 34.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 44.32 112.446 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.646 HD11 HD12 ' A' 1070 ' ' LEU . 30.1 pt -73.6 -31.46 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 71.51 111.103 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.57 -34.13 54.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 62.51 112.523 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.82 -32.78 56.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.794 -0.717 . . . . 73.14 112.478 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.39 -38.96 68.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 73.23 110.929 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.16 -38.81 82.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.897 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -72.78 -26.71 61.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 54.31 110.973 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 17.7 tp -74.38 -38.23 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' 1080 ' ' LEU . 0.4 OUTLIER -73.13 -37.44 66.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.42 110.89 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -76.16 -33.71 59.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 54.21 110.932 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.467 HD12 ' O ' ' A' 1078 ' ' LEU . 8.6 mt -68.71 -36.65 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 52.03 111.199 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.03 -36.88 67.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.866 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.8 mm -74.57 -36.26 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 60.23 111.209 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' 1081 ' ' LEU . 40.9 t -73.03 -27.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.2 111.086 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.87 -32.48 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 72.1 110.89 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.49 -14.53 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.2 110.946 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -98.23 -24.87 15.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 74.42 110.933 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t -79.41 -30.84 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.115 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 130.43 -13.02 5.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.685 -0.769 . . . . 44.12 112.466 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 4.7 t80 -61.13 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 61.31 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -87.23 5.2 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.2 110.859 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -82.81 1.52 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -26.18 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.916 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 63.34 28.89 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.4 110.924 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 19.2 tp -91.81 138.98 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.855 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 14.3 pttm -140.65 149.69 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 65.43 110.927 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -120.02 -55.87 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 71.41 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -139.46 105.53 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 70.02 110.941 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 8.1 mtt -78.14 -25.03 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 72.42 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 39.35 41.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.915 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -80.14 99.37 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 72.11 111.102 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 CA-C-O 119.174 -0.792 . . . . 64.43 112.477 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 75.31 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 26.4 m120 58.25 40.18 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.112 -0.495 . . . . 65.35 110.887 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -144.66 167.4 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 60.53 111.076 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -98.88 14.47 28.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 63.54 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 1.8 m -151.83 87.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.13 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 52.7 t -57.31 -23.64 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -127.97 40.15 3.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.897 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 43.25 32.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 65.44 110.889 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.5 mttt 170.31 103.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 74.45 110.915 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . 0.423 ' OE1' HD13 ' A' 1065 ' ' LEU . 4.8 mm-40 -54.53 -22.1 12.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.959 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.6 mtt 52.19 24.32 2.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 70.33 110.924 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.423 HD13 ' OE1' ' A' 1063 ' ' GLN . 0.1 OUTLIER -94.23 -36.58 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 65.05 110.988 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.1 p90 -52.05 -27.59 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.939 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.34 -40.2 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.943 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -40.77 85.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 53.23 110.93 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' 1073 ' ' ILE . 10.7 p -69.62 -33.81 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.43 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.13 -36.93 64.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 22.1 t -72.99 -28.18 62.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 72.13 110.837 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.41 -38.51 33.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 73.23 112.41 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' 1069 ' ' VAL . 34.8 pt -74.03 -31.06 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 73.11 111.073 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.77 -34.87 52.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 61.05 112.514 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.66 -32.7 57.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 41.12 112.473 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.03 -39.27 69.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 73.1 110.966 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' 1073 ' ' ILE . 3.2 mm? -67.79 -38.81 83.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 54.13 110.89 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.603 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.4 mp -72.69 -26.17 61.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.916 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.3 tt -75.35 -38.96 59.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.923 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.36 -34.81 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.923 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.87 -34.3 51.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 63.54 110.875 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' 1078 ' ' LEU . 13.3 mt -70.87 -35.35 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 73.12 111.137 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -73.02 -38.19 66.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.829 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 97.3 mt -75.79 -35.69 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 62.24 111.167 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' 1081 ' ' LEU . 13.3 t -67.65 -33.19 60.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 75.21 111.114 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 47.0 mt -81.3 -33.14 32.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.955 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -19.91 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.941 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 16.5 pttt -95.53 -26.7 15.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 55.31 110.89 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.31 -28.6 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 41.1 111.207 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 129.21 -3.12 6.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 53.31 112.482 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 3.7 t80 -63.86 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 74.11 110.922 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -93.87 14.41 19.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 64.22 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.97 172.33 8.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 53.04 110.901 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -51.87 -67.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.24 110.899 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.52 110.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 72.44 110.92 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . 0.512 HD13 ' N ' ' A' 1097 ' ' LYS . 0.2 OUTLIER -96.26 126.49 41.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 62.2 110.943 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . 0.512 ' N ' HD13 ' A' 1096 ' ' LEU . 56.9 mttm -120.42 169.64 10.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.895 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -127.69 37.15 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 74.32 110.842 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -80.46 -33.61 36.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.902 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 53.8 tpp -112.93 106.66 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.45 110.89 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.24 52.68 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -63.0 157.07 22.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 55.23 111.085 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.152 -0.805 . . . . 23.11 112.514 -179.886 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.905 0.383 . . . . 63.33 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -161.87 148.29 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.867 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -115.71 53.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 55.02 111.101 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.85 46.19 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.915 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 14.0 p -96.92 -27.01 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 62.01 111.111 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 47.6 t -54.05 -27.34 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 71.02 111.199 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.08 139.37 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 54.33 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.12 -16.8 45.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 65.01 110.939 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -77.06 -1.19 27.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 74.12 110.881 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . 0.454 ' HB3' HD23 ' A' 1065 ' ' LEU . 35.2 mm-40 -65.1 -12.61 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.917 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 34.0 mmt 58.94 24.05 12.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.51 110.878 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' 1066 ' ' TYR . 4.0 pp -96.54 -23.44 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 65.32 110.941 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.537 ' N ' HD12 ' A' 1065 ' ' LEU . 27.1 p90 -51.87 -28.34 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.23 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.66 -50.46 24.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 62.21 110.98 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . 0.734 ' CE2' HG23 ' A' 1069 ' ' VAL . 0.1 OUTLIER -65.77 -33.93 77.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.89 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.734 HG23 ' CE2' ' A' 1068 ' ' TYR . 2.5 t -73.42 -35.67 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.41 111.149 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.444 HD12 HD11 ' A' 1073 ' ' ILE . 12.4 tp -74.17 -35.49 64.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 53.23 110.913 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 32.1 t -73.76 -28.06 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.883 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.49 -38.88 31.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 63.41 112.525 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' 1069 ' ' VAL . 28.5 pt -73.7 -31.44 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 70.44 111.146 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.88 -34.1 53.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.692 -0.766 . . . . 75.15 112.5 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.75 -32.63 56.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 53.23 112.464 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.8 mp -72.17 -39.87 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 74.51 110.914 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.34 -38.76 85.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.879 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.591 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.6 mp -73.35 -25.66 60.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 73.23 110.898 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' 1079 ' ' LEU . 8.6 tt -76.51 -36.57 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.907 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 45.0 mt -75.36 -35.22 61.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.913 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.36 -34.7 55.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 74.02 110.981 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' 1078 ' ' LEU . 19.4 mt -71.8 -33.49 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 64.11 111.129 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -73.33 -38.84 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.7 mt -76.47 -35.43 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 72.52 111.168 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' 1081 ' ' LEU . 15.1 t -69.2 -29.88 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 73.55 111.153 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 64.9 mt -84.49 -30.71 24.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.42 110.928 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -17.25 53.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 75.21 110.926 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -102.2 -23.9 13.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 41.23 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t -77.04 -32.04 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 70.41 111.12 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.96 -16.55 6.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 72.21 112.503 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 50.5 t80 -51.34 -60.83 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 72.05 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -84.22 1.27 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.44 110.93 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.0 tptt -95.89 174.06 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.53 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.87 100.44 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 71.33 110.855 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -162.71 157.02 21.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 61.22 110.856 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 5.9 tt -79.94 130.28 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 50.44 110.937 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 29.8 pttt -152.39 153.17 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 65.54 110.88 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -122.86 1.72 9.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.884 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -112.06 101.92 10.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.931 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 20.6 mmm -88.38 -35.93 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.836 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 39.49 41.73 0.77 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -64.92 112.17 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 54.51 111.036 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.157 -0.802 . . . . 45.25 112.534 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.883 0.373 . . . . 70.1 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -67.13 -32.87 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.94 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -142.65 114.55 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 42.34 111.095 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.37 76.7 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.41 110.922 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . 0.43 HG13 ' HE3' ' A' 1064 ' ' MET . 17.4 t 63.23 64.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 64.33 111.148 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.9 t -123.63 -40.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 63.41 111.175 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -127.52 26.89 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 63.42 110.927 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' 1062 ' ' LYS . 10.2 pt-20 -150.58 114.67 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 71.41 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' 1061 ' ' GLU . 1.6 pttt 37.25 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.901 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -58.44 -18.25 26.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 71.1 110.889 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . 0.43 ' HE3' HG13 ' A' 1058 ' ' VAL . 4.7 mtt 61.48 20.94 11.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 72.21 110.964 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' 1068 ' ' TYR . 19.0 mt -84.95 -30.38 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.922 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.402 ' HA ' HG12 ' A' 1069 ' ' VAL . 36.6 p90 -52.1 -25.51 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 63.54 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.04 -40.33 39.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.917 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . 0.413 ' CE2' HD22 ' A' 1065 ' ' LEU . 0.0 OUTLIER -70.08 -36.28 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.92 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' 1073 ' ' ILE . 10.7 p -73.99 -32.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 55.23 111.129 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.475 HD12 HD11 ' A' 1073 ' ' ILE . 13.0 tp -75.29 -36.1 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.01 110.896 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 12.1 t -74.25 -28.08 61.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.855 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.72 -37.54 34.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 41.41 112.523 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' 1069 ' ' VAL . 29.7 pt -74.88 -31.68 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 52.41 111.121 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.85 -33.25 51.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 74.55 112.433 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.8 -32.24 54.16 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 41.23 112.477 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' 1072 ' ' GLY . 7.2 mt -73.45 -38.54 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 74.31 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.74 -36.33 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 73.45 110.918 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.574 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.7 mp -74.84 -26.79 59.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 74.4 110.877 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' 1079 ' ' LEU . 0.6 OUTLIER -74.29 -38.44 63.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.951 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.23 -37.26 66.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.925 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -76.12 -33.52 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.955 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' 1078 ' ' LEU . 8.6 mt -69.18 -36.47 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 71.2 111.05 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -72.63 -37.06 68.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.866 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 4.6 mm -74.39 -38.2 46.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.23 111.104 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' 1081 ' ' LEU . 42.3 t -69.59 -30.04 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.158 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.478 HD22 ' CG ' ' A' 1091 ' ' PHE . 50.6 mt -78.91 -42.31 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 70.22 110.97 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -14.54 60.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.176 -0.465 . . . . 71.03 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -99.39 -20.61 16.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 55.32 110.874 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.1 t -90.58 -35.36 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.31 111.173 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 128.72 51.64 0.12 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 51.23 112.427 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.478 ' CG ' HD22 ' A' 1086 ' ' LEU . 7.2 m-85 -124.67 -64.24 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 60.44 110.889 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.98 -11.68 43.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.8 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 62.31 110.858 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -88.88 -44.92 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 74.11 110.893 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 20.3 m120 -55.28 136.46 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 54.31 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 8.5 tt -72.69 -40.66 66.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.836 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.49 143.2 44.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 53.43 110.922 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -81.61 -56.65 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.01 110.856 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 8.8 ttmm 52.83 44.73 29.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.905 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 23.7 ptt? -103.92 138.01 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 61.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -70.78 -65.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 52.03 110.941 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -130.39 148.26 52.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 50.14 111.104 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.124 -0.82 . . . . 72.23 112.483 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.905 0.383 . . . . 75.31 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -144.83 164.42 31.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 63.1 110.9 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 61.33 111.12 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -97.69 17.05 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.823 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 20.5 t 51.36 62.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 65.25 111.127 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 24.5 t -72.11 -40.39 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 75.12 111.069 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -119.55 165.29 14.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 64.24 110.895 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.38 17.6 14.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.1 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -0.7 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 73.34 110.858 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -66.58 -10.97 50.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 70.34 110.927 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 35.6 mmt 56.19 25.61 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 44.45 110.838 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.42 -36.08 15.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 74.04 110.933 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 35.0 p90 -51.81 -27.79 13.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.5 -40.2 57.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.04 -0.527 . . . . 75.11 110.995 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -40.44 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 71.33 110.972 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' 1073 ' ' ILE . 11.3 p -70.13 -33.45 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 73.41 111.152 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.687 HD12 HD11 ' A' 1073 ' ' ILE . 13.6 tp -74.44 -36.45 63.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.899 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 79.0 p -72.83 -29.01 62.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.821 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.67 -39.33 34.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.737 . . . . 71.04 112.487 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.687 HD11 HD12 ' A' 1070 ' ' LEU . 28.9 pt -73.61 -30.89 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 75.34 111.089 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.52 -34.73 53.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.708 -0.758 . . . . 64.45 112.479 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.08 -33.53 56.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 64.1 112.453 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.49 -39.64 70.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 74.35 110.846 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.02 -38.97 86.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 74.15 110.946 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.582 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.9 mp -72.72 -25.98 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 64.43 110.92 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.6 tt -76.32 -36.8 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.862 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 15.1 mt -74.94 -35.17 62.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 74.43 110.938 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.56 -34.64 53.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.964 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' 1078 ' ' LEU . 18.8 mt -71.94 -33.0 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 63.14 111.075 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.06 -38.66 63.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.795 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 73.7 mt -76.93 -35.06 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 60.41 111.108 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' 1081 ' ' LEU . 16.3 t -70.29 -29.7 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.158 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 54.6 mt -84.71 -28.81 26.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.921 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -17.43 45.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 75.01 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -100.38 -26.31 13.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 65.3 110.896 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.0 t -75.78 -32.19 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 70.45 111.12 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 129.54 -14.91 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.649 -0.786 . . . . 74.5 112.449 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 6.4 t80 -54.15 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 73.03 110.849 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -81.85 0.21 40.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.481 . . . . 54.43 110.926 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.3 tptp -90.57 171.23 9.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.883 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.57 48.53 21.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 71.3 110.911 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 19.8 m120 -149.22 179.85 7.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 74.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.38 92.87 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 53.2 mttp -144.01 -178.17 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.877 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -71.26 -41.14 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 44.42 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt 39.22 41.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 74.04 110.837 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . 0.484 ' O ' ' C ' ' A' 1101 ' ' GLU . 33.2 mtt -68.54 -70.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.932 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' 1100 ' ' MET . 1.5 pp20? 30.7 52.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 70.22 110.886 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -70.01 111.21 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 64.34 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.142 -0.81 . . . . 63.21 112.474 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 65.0 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.917 0.389 . . . . 75.43 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 5.3 m120 -70.27 149.79 47.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.07 -0.514 . . . . 63.14 110.898 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -129.11 153.59 47.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.15 111.117 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 1.8 t0 -178.68 119.17 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.31 110.917 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . 0.458 HG23 ' CG ' ' A' 1063 ' ' GLN . 2.5 p -156.64 89.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 64.45 111.13 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 17.8 t -115.76 -38.81 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 52.45 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -130.27 -73.73 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -149.91 25.99 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.078 -0.51 . . . . 61.11 110.923 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -84.37 8.24 16.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 70.25 110.912 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . 0.458 ' CG ' HG23 ' A' 1058 ' ' VAL . 25.8 mt-30 -69.13 -10.68 58.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 55.13 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 28.0 mmt 50.43 31.75 5.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 65.11 110.868 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' 1068 ' ' TYR . 2.2 mt -89.85 -43.25 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.04 110.976 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 30.9 p90 -53.34 -23.73 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.955 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.3 mt -78.51 -40.28 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 51.35 110.902 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . 0.423 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.18 -37.4 78.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.9 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' 1073 ' ' ILE . 14.1 p -72.68 -33.96 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 63.43 111.124 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.6 HD12 HD11 ' A' 1073 ' ' ILE . 13.7 tp -74.27 -35.65 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.958 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 29.9 t -74.1 -28.04 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.77 -38.1 32.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 51.23 112.485 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.6 HD11 HD12 ' A' 1070 ' ' LEU . 25.6 pt -74.69 -31.56 26.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.884 0.373 . . . . 72.15 111.168 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.13 -33.6 53.98 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 63.03 112.493 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.42 -32.71 54.65 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 52.01 112.466 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 5.5 mp -72.99 -38.49 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 54.43 110.904 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 5.0 tp -69.38 -37.85 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.934 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.589 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.5 mp -74.09 -25.5 59.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 65.32 110.952 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.9 -37.86 58.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.904 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 51.2 tp -74.47 -35.22 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.907 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.26 -34.23 55.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.944 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' 1078 ' ' LEU . 15.7 mt -71.65 -33.7 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 65.13 111.148 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -39.16 65.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.23 110.861 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 83.8 mt -75.86 -36.47 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 50.41 111.14 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' 1081 ' ' LEU . 14.5 t -67.75 -31.77 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 70.53 111.125 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 39.8 mt -82.0 -33.33 30.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.878 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -17.7 59.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.928 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 -17.23 14.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 51.43 110.85 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.2 t -86.64 -36.4 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 73.52 111.144 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 132.49 48.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 63.3 112.448 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 -64.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 75.4 110.898 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -93.53 16.62 13.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.88 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 101.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.53 110.967 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.4 157.78 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.866 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -115.78 43.19 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 63.14 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 5.8 tp -109.55 148.2 31.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 60.52 110.913 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -96.91 133.86 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 63.54 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.69 -55.05 2.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 72.1 110.923 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -130.83 98.91 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 14.8 mmm -69.58 155.24 40.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.843 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -116.36 60.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.51 110.856 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -64.16 123.45 19.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 44.03 111.137 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 CA-C-O 119.164 -0.798 . . . . 54.04 112.452 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.989 0.423 . . . . 72.15 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 36.0 m120 -120.6 28.11 8.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.925 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -65.23 99.78 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 31.44 111.09 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -161.52 110.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.795 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' 1058 ' ' VAL . 2.5 p -179.85 101.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 61.43 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 98.4 t -94.19 -63.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 72.14 111.087 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -52.12 129.16 26.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 71.01 110.888 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.9 0.61 49.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 65.11 110.888 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.86 -1.51 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.864 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . 0.473 ' HB3' HD12 ' A' 1065 ' ' LEU . 5.4 mt-30 -66.92 -10.9 53.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.887 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 38.6 mmt 55.07 28.4 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.92 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.592 HD23 ' CD2' ' A' 1068 ' ' TYR . 1.5 mt -92.33 -34.16 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 63.52 110.91 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 27.6 p90 -52.43 -25.96 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.937 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.31 -39.73 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.33 110.968 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . 0.592 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.17 -38.07 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.96 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' 1073 ' ' ILE . 14.9 p -72.17 -33.34 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 75.33 111.158 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.47 HD12 HD11 ' A' 1073 ' ' ILE . 12.5 tp -74.9 -36.32 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.874 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 52.1 p -73.94 -27.86 61.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.83 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -76.72 -38.17 32.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 70.23 112.551 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' 1069 ' ' VAL . 28.8 pt -74.48 -31.49 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 64.24 111.181 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.67 -33.46 51.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 70.1 112.465 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.59 54.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.735 . . . . 63.02 112.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.23 -38.8 65.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.03 110.932 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 2.9 tp -69.56 -36.36 76.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.92 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.577 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.6 mp -74.72 -26.42 59.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.919 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' 1079 ' ' LEU . 0.6 OUTLIER -74.39 -38.68 63.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.931 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . 0.534 ' O ' HD13 ' A' 1080 ' ' LEU . 0.3 OUTLIER -73.23 -37.43 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.11 110.924 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.577 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.2 OUTLIER -75.79 -33.63 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 70.42 110.944 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.463 HD12 ' O ' ' A' 1078 ' ' LEU . 8.3 mt -69.09 -37.09 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 72.24 111.144 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.73 -37.14 70.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 5.2 mm -73.98 -38.86 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.44 111.157 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' 1089 ' ' VAL . 45.0 t -68.1 -31.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 64.33 111.17 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' 1091 ' ' PHE . 36.0 mt -74.59 -46.49 38.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.11 -0.495 . . . . 61.01 110.953 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -14.49 61.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 73.03 110.926 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -90.04 -26.71 20.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 62.02 110.94 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' 1085 ' ' VAL . 33.7 m -92.32 -31.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.054 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 126.19 54.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 72.41 112.485 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.612 ' CD2' HD22 ' A' 1086 ' ' LEU . 4.7 m-85 -126.96 -65.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 74.22 110.85 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -88.64 -2.9 58.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.6 93.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 63.55 110.89 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -174.23 135.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.25 54.63 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -50.03 74.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 64.44 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 57.5 mttt -60.17 171.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.847 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 61.5 29.84 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 63.04 110.871 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -103.89 32.62 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.21 110.886 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 4.6 mtt -98.22 -27.4 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 55.03 110.842 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -107.9 40.52 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 63.31 110.937 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -96.62 74.85 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.34 111.152 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.123 -0.821 . . . . 62.44 112.576 -179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.944 0.402 . . . . 75.41 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -81.19 -49.36 10.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 63.41 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -86.12 137.16 32.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.14 111.108 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . 0.441 ' H ' HG23 ' A' 1059 ' ' VAL . 0.5 OUTLIER -172.64 115.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.847 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' 1058 ' ' VAL . 13.6 p 39.4 38.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 71.31 111.081 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' 1057 ' ' ASP . 63.3 t -60.99 -23.8 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 70.03 111.142 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -83.2 55.65 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 63.23 110.911 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -174.23 165.69 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.892 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -83.7 76.87 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 63.44 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -48.1 -25.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 63.01 110.896 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.3 mtt 59.78 20.48 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.908 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' 1068 ' ' TYR . 7.8 mt -84.1 -36.44 22.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 64.12 110.909 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' 1069 ' ' VAL . 37.3 p90 -52.49 -25.57 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.929 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.1 mt -77.67 -40.42 41.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.15 110.909 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . 0.423 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.49 -37.42 77.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 70.33 110.985 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' 1073 ' ' ILE . 11.8 p -72.88 -32.84 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 74.34 111.069 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.461 HD12 HD11 ' A' 1073 ' ' ILE . 12.2 tp -75.3 -36.25 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 64.54 110.839 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 54.7 p -73.64 -28.25 61.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.41 110.814 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' 1076 ' ' LEU . . . -76.51 -38.2 33.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 54.24 112.552 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.582 HG23 ' O ' ' A' 1069 ' ' VAL . 30.7 pt -74.33 -31.14 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 64.14 111.157 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -75.55 -33.6 51.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.742 -0.742 . . . . 75.1 112.497 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.84 -32.37 53.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 64.11 112.451 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' 1072 ' ' GLY . 7.0 mt -73.25 -38.42 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 63.31 110.94 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -37.59 76.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 55.21 110.935 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.584 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.6 mp -74.57 -25.05 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 43.05 110.944 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.34 -37.47 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 71.33 110.924 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.1 -35.01 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 63.34 110.89 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.49 -34.3 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.45 110.939 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1078 ' ' LEU . 15.8 mt -71.66 -33.38 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 70.41 111.137 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.46 -38.77 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 61.12 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 71.2 mt -76.37 -35.96 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 65.24 111.107 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' 1081 ' ' LEU . 14.2 t -67.6 -33.06 59.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 61.51 111.103 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 45.3 mt -80.54 -34.73 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 73.54 110.945 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -17.16 60.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 27.5 pttt -104.24 -16.6 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 64.53 110.938 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.3 t -88.69 -34.79 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.01 111.141 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 128.3 49.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 70.13 112.468 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.88 -65.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 74.04 110.857 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -90.3 -10.56 43.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 73.11 110.917 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 2.2 tttm -51.13 103.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.44 110.88 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -160.54 124.01 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 74.11 110.895 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.87 54.95 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 42.45 110.94 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.43 109.9 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.11 110.95 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 41.8 mttm -98.24 154.5 17.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 52.24 110.878 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -112.83 -34.25 5.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -135.9 113.87 11.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.869 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 18.4 tpp -73.04 -30.97 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.849 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -52.42 -41.35 63.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 62.43 110.852 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -99.68 131.12 45.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.51 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.095 -0.836 . . . . 54.13 112.531 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.927 0.394 . . . . 63.32 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -70.57 142.06 51.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 73.22 110.877 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -133.7 178.74 6.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 54.35 111.147 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 3.7 t0 -126.94 27.09 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.819 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -150.53 86.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 72.5 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 67.2 t -110.74 -51.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.087 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -101.07 -65.85 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.928 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -115.81 -164.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 60.03 110.875 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 8.8 mttp 66.64 12.49 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.42 110.931 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -62.38 -26.08 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.942 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . 0.68 ' HB3' HD12 ' A' 1067 ' ' LEU . 31.4 mmt 47.58 27.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.868 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.2 -37.13 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . . . . . . . . . 25.7 p90 -52.12 -24.49 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.934 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' 1064 ' ' MET . 7.7 mt -78.79 -40.78 32.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 63.23 110.996 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -35.94 75.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' 1073 ' ' ILE . 10.6 p -73.81 -33.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 73.23 111.054 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.95 -36.6 62.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 4.0 p -72.22 -29.47 63.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 53.42 110.88 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.17 -39.61 36.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 54.31 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' 1069 ' ' VAL . 36.7 pt -73.07 -30.69 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 72.5 111.181 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.55 -34.96 52.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.723 -0.751 . . . . 73.01 112.549 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.88 58.04 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.668 -0.777 . . . . 53.22 112.436 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' 1080 ' ' LEU . 5.3 mt -71.69 -40.18 69.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.864 0.364 . . . . 65.13 110.874 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.13 -38.59 85.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 51.42 110.84 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.605 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.5 mp -72.82 -26.24 61.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.904 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 4.2 tt -75.51 -37.21 60.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 63.33 110.913 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' 1076 ' ' LEU . 4.0 mm? -74.85 -34.86 62.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.949 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.84 -34.26 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 72.21 110.949 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.448 HD12 ' O ' ' A' 1078 ' ' LEU . 18.3 mt -71.55 -33.2 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.128 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -38.62 62.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.82 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 70.3 mt -76.61 -33.65 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 71.52 111.131 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' 1089 ' ' VAL . 13.3 t -71.58 -30.56 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.159 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 44.2 mt -83.11 -29.08 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 61.24 110.899 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -19.6 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.869 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -88.83 -39.39 13.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 75.52 110.952 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.628 HG23 ' H ' ' A' 1091 ' ' PHE . 26.1 m -67.9 -32.39 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 71.42 111.124 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 124.71 -7.12 8.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 60.04 112.507 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.628 ' H ' HG23 ' A' 1089 ' ' VAL . 6.7 t80 -51.62 -55.39 19.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 73.35 110.865 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -84.83 3.52 37.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 70.44 110.871 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.81 7.65 40.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 65.34 110.883 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -74.58 -41.57 60.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 25.0 m120 -129.16 164.17 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' 1097 ' ' LYS . 0.3 OUTLIER -80.6 125.28 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.996 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . 0.463 ' N ' HD13 ' A' 1096 ' ' LEU . 55.3 mttt -51.83 147.02 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 54.45 110.934 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -100.76 25.54 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.869 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -109.28 77.51 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 75.31 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 3.3 ptt? -109.63 -33.54 6.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -110.52 37.71 2.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.888 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -77.24 95.75 4.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 63.44 111.095 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.116 -0.824 . . . . 42.51 112.531 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.869 0.366 . . . . 61.23 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 7.8 m120 -90.49 -44.33 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.912 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -86.11 177.54 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 60.13 111.078 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 30.4 t0 -96.67 6.46 48.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' 1058 ' ' VAL . 2.6 p 179.77 101.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.071 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 21.4 t -113.56 -28.38 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 73.31 111.137 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -51.85 162.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -24.39 38.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.829 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.96 92.7 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 73.31 110.874 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -21.98 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 58.85 20.15 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.832 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.415 HD22 ' CE2' ' A' 1068 ' ' TYR . 18.7 mt -78.79 -26.77 44.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.419 . . . . 64.1 110.914 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.4 ' HA ' HG12 ' A' 1069 ' ' VAL . 27.6 p90 -53.87 -24.97 17.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 62.53 110.931 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.2 -41.12 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 73.13 110.937 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' 1065 ' ' LEU . 0.0 OUTLIER -69.34 -36.94 77.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.949 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' 1073 ' ' ILE . 11.1 p -73.15 -33.18 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 64.54 111.101 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.441 HD12 HD11 ' A' 1073 ' ' ILE . 11.9 tp -75.18 -35.59 61.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.92 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 1.9 t -73.5 -29.01 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 63.45 110.887 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.44 33.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 74.33 112.469 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.586 HG23 ' O ' ' A' 1069 ' ' VAL . 24.3 pt -73.47 -31.84 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 65.33 111.137 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.94 -32.66 56.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 72.12 112.49 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -75.59 -32.51 54.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 71.11 112.532 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.99 -39.76 65.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 75.42 110.941 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.27 -36.86 77.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.963 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.9 mp -74.55 -26.06 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.899 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' 1079 ' ' LEU . 8.2 tt -74.7 -38.56 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 62.32 110.836 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . . . . . . . . . 46.6 mt -72.75 -37.68 67.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.942 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -75.48 -35.08 60.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.959 179.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' 1078 ' ' LEU . 12.0 mt -68.85 -37.54 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 53.23 111.161 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . 0.413 ' HA ' HD21 ' A' 1086 ' ' LEU . 3.9 m-85 -70.5 -38.15 74.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.85 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . 0.583 HG22 ' HD2' ' A' 1088 ' ' LYS . 92.3 mt -77.67 -28.58 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.04 111.072 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.642 ' O ' HG13 ' A' 1089 ' ' VAL . 3.5 t -70.95 -38.84 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.13 111.167 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' 1087 ' ' TYR . 3.6 pp -77.72 -30.7 51.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.912 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . 0.519 ' N ' HD12 ' A' 1086 ' ' LEU . 0.0 OUTLIER -80.24 -17.03 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.054 0.454 . . . . 53.42 110.969 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . 0.583 ' HD2' HG22 ' A' 1084 ' ' ILE . 32.0 mttp -93.46 -26.09 17.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 70.54 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' 1085 ' ' VAL . 34.9 m -85.13 -25.5 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.34 111.161 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 117.44 53.69 0.31 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 73.02 112.458 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 1.5 t80 -123.15 -50.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 75.41 110.895 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . 0.486 ' CD1' HD13 ' A' 1086 ' ' LEU . 3.1 m-30 -105.97 49.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.902 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -91.65 15.1 13.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 60.2 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 20.2 tpp180 -104.29 -27.08 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 73.15 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -108.64 106.31 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.903 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 11.0 tp -90.14 146.0 24.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 54.11 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 21.4 pttp -113.34 134.9 54.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.834 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.37 -29.51 69.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 74.02 110.896 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? 39.21 41.14 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.12 110.886 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -39.48 91.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.946 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 59.86 50.54 6.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.937 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -59.53 148.61 32.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 63.25 111.175 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.139 -0.812 . . . . 73.15 112.459 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 78.1 p . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.864 0.364 . . . . 55.13 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 31.2 m120 -107.43 125.26 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 74.23 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -96.11 92.75 6.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 70.22 111.105 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.51 111.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 24.7 t -122.53 66.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 55.45 111.17 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 23.2 t -119.03 -31.62 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.153 -0.476 . . . . 63.03 111.208 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -90.2 -31.15 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 53.24 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -57.74 163.73 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 73.12 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 16.5 mttm -74.04 74.17 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 71.31 110.875 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -48.6 -25.43 1.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 2.4 mtt 59.97 20.97 10.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 72.52 110.866 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' 1068 ' ' TYR . 6.3 mt -77.64 -43.61 30.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.888 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.401 ' HA ' HG12 ' A' 1069 ' ' VAL . 35.9 p90 -52.24 -25.64 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 64.25 110.861 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.95 -40.43 47.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 71.24 110.954 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . 0.462 ' CD2' HD23 ' A' 1065 ' ' LEU . 0.0 OUTLIER -68.91 -38.25 79.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 73.05 110.893 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.594 ' O ' HG23 ' A' 1073 ' ' ILE . 13.8 p -72.16 -32.89 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 53.52 111.114 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.75 -38.01 62.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 70.22 110.962 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 40.6 t -72.98 -25.96 61.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 63.32 110.913 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -78.92 -37.26 26.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 74.32 112.487 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' 1069 ' ' VAL . 28.8 pt -76.29 -31.05 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 74.32 111.115 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -80.71 -34.73 27.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 72.5 112.512 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -77.03 -30.35 55.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.742 -0.742 . . . . 73.42 112.529 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' 1076 ' ' LEU . 0.6 OUTLIER -79.15 -35.59 41.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 74.53 110.976 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.9 -33.38 63.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 62.22 110.95 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.608 ' HA ' HD23 ' A' 1081 ' ' LEU . 6.7 mp -77.73 -27.64 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.886 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 19.7 tp -74.63 -37.37 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.91 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' 1076 ' ' LEU . 6.2 mp -74.88 -35.17 62.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.943 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -77.74 -33.83 52.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 54.44 110.859 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' 1078 ' ' LEU . 16.1 mt -71.54 -33.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 73.21 111.096 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -38.81 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.858 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . . . . . . . . . 68.5 mt -75.76 -35.5 30.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.13 111.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' 1089 ' ' VAL . 23.6 t -71.19 -30.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.088 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.434 ' HA ' HG22 ' A' 1089 ' ' VAL . 37.0 mt -82.58 -27.85 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.23 110.944 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -17.01 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.936 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . . . . . . . . . 7.7 pttm -94.1 -27.18 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.865 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' 1085 ' ' VAL . 30.3 m -83.77 -24.54 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 65.42 111.174 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 108.61 49.47 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 43.32 112.478 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -123.09 -49.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.355 . . . . 75.45 110.848 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -104.88 3.46 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.849 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 7.7 tttt -54.0 109.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 73.5 110.946 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -57.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 51.01 110.836 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 35.6 m120 -145.6 165.67 28.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.917 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' 1096 ' ' LEU . 0.4 OUTLIER -95.9 102.93 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.906 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -71.05 147.0 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.899 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.64 -26.34 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.944 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -83.94 -33.03 24.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 63.54 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 12.5 ttt -111.22 156.42 21.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 72.02 110.911 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 2.4 tp10 57.45 26.31 12.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -81.13 83.81 6.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 71.31 111.036 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.117 -0.824 . . . . 75.13 112.501 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1054 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.849 0.357 . . . . 32.03 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1055 ' ' ASN . . . . . . . . . . . . . 19.1 m120 -135.23 86.09 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 72.4 110.946 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1056 ' ' ALA . . . . . . . . . . . . . . . -105.15 28.91 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 64.55 111.094 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1057 ' ' ASP . . . . . . . . . . . . . 20.3 t0 -174.94 111.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 74.44 110.944 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1058 ' ' VAL . . . . . . . . . . . . . 18.1 t -113.81 61.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.103 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 61.5 t -122.03 -31.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 71.31 111.16 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1060 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -54.94 176.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.897 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -116.96 -15.23 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.877 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1062 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.85 17.24 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.43 110.877 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1063 ' ' GLN . . . . . 0.554 ' HB3' HD23 ' A' 1065 ' ' LEU . 8.9 mt-30 -64.52 -17.76 64.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 63.33 110.918 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1064 ' ' MET . . . . . . . . . . . . . 29.6 mmt 50.24 28.54 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.832 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1065 ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' 1063 ' ' GLN . 3.7 pp -96.77 -20.46 18.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.916 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1066 ' ' TYR . . . . . 0.553 ' N ' HD12 ' A' 1065 ' ' LEU . 32.9 p90 -53.56 -23.8 11.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1067 ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.39 -42.4 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 74.54 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1068 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -35.05 74.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.472 . . . . 62.11 110.896 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' 1073 ' ' ILE . 7.4 p -74.49 -32.89 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.25 111.141 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1070 ' ' LEU . . . . . 0.682 HD12 HD11 ' A' 1073 ' ' ILE . 17.6 tp -75.73 -34.82 60.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.951 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1071 ' ' SER . . . . . . . . . . . . . 2.0 t -74.07 -29.49 61.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.857 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -75.44 -39.1 36.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 63.32 112.475 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1073 ' ' ILE . . . . . 0.682 HD11 HD12 ' A' 1070 ' ' LEU . 27.5 pt -73.36 -31.23 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 74.32 111.1 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1074 ' ' GLY . . . . . . . . . . . . . . . -74.4 -34.11 55.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.66 -0.781 . . . . 45.43 112.446 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1075 ' ' GLY . . . . . . . . . . . . . . . -74.47 -33.41 56.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.693 -0.765 . . . . 74.12 112.517 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1076 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.06 -38.59 69.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.903 0.382 . . . . 51.02 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1077 ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.37 -39.12 85.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.911 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1078 ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' 1081 ' ' LEU . 5.8 mp -72.53 -27.55 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.873 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1079 ' ' LEU . . . . . . . . . . . . . 18.2 tp -73.63 -37.86 65.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 71.35 110.963 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1080 ' ' LEU . . . . . 0.413 ' O ' HG12 ' A' 1084 ' ' ILE . 65.7 mt -71.13 -43.58 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.922 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1081 ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' 1078 ' ' LEU . 0.3 OUTLIER -70.37 -34.71 72.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.839 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1082 ' ' ILE . . . . . 0.47 HD12 ' O ' ' A' 1078 ' ' LEU . 11.6 mt -69.43 -31.85 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.34 111.138 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1083 ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -41.68 69.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.85 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . 0.646 HG22 ' CE ' ' A' 1088 ' ' LYS . 5.2 mm -74.6 -34.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 70.44 111.18 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1085 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1081 ' ' LEU . 32.3 t -69.72 -28.84 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 51.33 111.155 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' 1091 ' ' PHE . 29.9 mt -85.27 -30.87 23.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 75.55 110.917 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1087 ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -13.75 55.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.901 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1088 ' ' LYS . . . . . 0.646 ' CE ' HG22 ' A' 1084 ' ' ILE . 17.1 ptpt -101.71 -28.16 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 75.42 110.921 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1089 ' ' VAL . . . . . . . . . . . . . 2.9 t -75.12 -31.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 70.52 111.181 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1090 ' ' GLY . . . . . . . . . . . . . . . 131.5 -9.85 5.55 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.781 -0.723 . . . . 61.53 112.532 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1091 ' ' PHE . . . . . 0.503 ' CG ' HD22 ' A' 1086 ' ' LEU . 0.2 OUTLIER -59.16 -65.42 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 74.31 110.88 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1092 ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -85.22 -18.42 34.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.931 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1093 ' ' LYS . . . . . . . . . . . . . 1.3 tttm -51.19 116.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.866 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1094 ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -57.51 134.96 56.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 54.53 110.935 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1095 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -170.93 162.67 7.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.945 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1096 ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.24 95.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 65.21 110.885 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1097 ' ' LYS . . . . . . . . . . . . . 30.9 mttm -121.75 -50.43 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 64.03 110.854 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1098 ' ' GLU . . . . . . . . . . . . . 16.8 tt0 62.86 38.8 11.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 60.03 110.911 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1099 ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -113.96 78.31 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 71.15 110.899 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1100 ' ' MET . . . . . . . . . . . . . 3.8 tpp -66.62 126.95 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 70.32 110.895 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1101 ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -118.09 63.53 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.917 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1102 ' ' ALA . . . . . . . . . . . . . . . -83.28 79.67 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.127 -0.818 . . . . 64.03 112.472 -179.946 . . . . . . . . 0 0 . 1 stop_ save_